SCHEMBL9910596

SCHEMBL9910596

CC1CCC(C(=O)Oc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.63
▸ GAA P10253 1/20 0.57
▸ KMT2A Q03164 2/20 0.56
▸ HTT P42858 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ POLB P06746 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ RAB9A P51151 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ F2 P00734 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ ACHE P22303 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10091198 0.95 ELANE (0.58) ELANEGAAKMT2AHTTSMN1; SMN2
Formic Acid SCHEMBL18905998 0.94 ELANE (0.56) ELANEGAAKMT2AHTTSMN1; SMN2
SCHEMBL13135348 0.91 KMT2A (0.68) ELANEGAAKMT2AHTTSMN1; SMN2
SCHEMBL13135270 0.91 KMT2A (0.68) ELANEGAAKMT2AHTTSMN1; SMN2
SCHEMBL3079124 0.91 ELANE (0.73) ELANEGAAKMT2AHTTSMN1; SMN2
SCHEMBL12642500 0.91 ELANE (0.73) ELANEGAAKMT2AHTTSMN1; SMN2
SCHEMBL12370828 0.91 ELANE (0.73) ELANEGAAKMT2AHTTSMN1; SMN2
SCHEMBL3193624 0.91 ELANE (0.73) ELANEGAAKMT2AHTTSMN1; SMN2
SCHEMBL525974 0.91 ELANE (0.73) ELANEGAAKMT2AHTTSMN1; SMN2
SCHEMBL10091183 0.89 ELANE (0.64) ELANEGAAKMT2AHTTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580142-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 — — US disclosed
US-8420764-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2013-04-16 — — US disclosed
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 — — US disclosed
US-8197051-B2 Ink jet recording ink set and ink jet image recording method FUJIFILM CORPORATION (JP) 2012-06-12 — — US disclosed
US-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2012-01-26 — — US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 — — US disclosed
US-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-30 — — US disclosed
US-7695777-B2 cyclohexenylene compounds which have a phenylene ring both fluoro and chloro substituted; wide temperature range; heat and light stable; small viscosity, large optical anisotropy; suitable negative dielectric anisotropy and excellent compatibility with other liquid crystal compounds; short response times CHISSON CORPORATION (JP) 2010-04-13 — — US disclosed
US-7635746-B2 Diamine compound containing triazine group, polyamic acid synthesized from the diamine compound and LC alignment film prepared from the polyamic acid CHEIL INDUSTRIES INC. (KR) 2009-12-22 — — US disclosed
US-7510749-B2 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time CHISSO CORPORATION (JP) 2009-03-31 — — US disclosed
US-20090073246-A1 Ink Jet Recording Ink Set and Ink Jet Image Recording Method FUJIFILM CORPORATION (JP) 2009-03-19 — — US disclosed
CN-100448824-C Decahydronaphthalene derivatives DAINIPPON INK & CHEMICALS (JP) 2009-01-07 — — CN disclosed
US-20080075891-A1 cyclohexenylene compounds which have a phenylene ring both fluoro and chloro substituted; wide temperature range; heat and light stable; small viscosity, large optical anisotropy; suitable negative dielectric anisotropy and excellent compatibility with other liquid crystal compounds; short response times CHISSO CORPORATION 2008-03-27 — — US disclosed
US-20080063814-A1 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time CHISSO CORPORATION 2008-03-13 — — US disclosed
CN-1321141-A Decahydronaphthalene derivatives DAINIPPON INK & CHEMICALS (JP) 2001-11-07 — — CN disclosed
CN-1140194-A Liquid crystalline compound having branched alkyl group at its side chain and liquid crystal composition containing the same CHISSO CORP (JP) 1997-01-15 — — CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 ELANE 3247/4885GAA 4763/4885KMT2A 1271/4885
US-20080063814-A1 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time POU2F2, HCN2, POU2F1 ELANE 2337/4885GAA 4840/4885KMT2A 988/4885
US-20080075891-A1 cyclohexenylene compounds which have a phenylene ring both fluoro and chloro substituted; wide temperature range; heat and light stable; small viscosity, large optical anisotropy; suitable negative dielectric anisotropy and excellent compatibility with other liquid crystal compounds; short response times CNKSR1, CLCN2, LEF1 ELANE 2217/4885GAA 4797/4885KMT2A 1390/4885
US-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 ELANE 2865/4885GAA 4848/4885KMT2A 2895/4885
US-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE ROCK2, ROCK1, LEF1 ELANE 3082/4885GAA 4546/4885KMT2A 1309/4885
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 ELANE 2870/4885GAA 4618/4885KMT2A 1102/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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