SCHEMBL10030795

SCHEMBL10030795

CC1CCC(C2CCC(C(=O)OC3CCCCC3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.40
FABP7 O15540 1/20 0.39
FABP5 Q01469 1/20 0.39
NAAA Q02083 2/20 0.37
HTT P42858 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP19A1 P11511 3/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL18807488 0.94 EPHX1 (0.43) EPHX1FABP7FABP5NAAAHTT
SCHEMBL20152491 0.91 CYP19A1 (0.38) SMN1; SMN2CYP19A1LMNAMAPT
SCHEMBL13074339 0.91 CYP19A1 (0.38) SMN1; SMN2CYP19A1LMNAMAPT
SCHEMBL20152488 0.91 CYP19A1 (0.38) SMN1; SMN2CYP19A1LMNAMAPT
SCHEMBL14274401 0.91 CYP19A1 (0.38) SMN1; SMN2CYP19A1LMNAMAPT
SCHEMBL20152489 0.91 CYP19A1 (0.38) SMN1; SMN2CYP19A1LMNAMAPT
SCHEMBL170528 0.91 CYP19A1 (0.38) SMN1; SMN2CYP19A1LMNAMAPT
SCHEMBL18435843 0.89 FABP7 (0.42) EPHX1FABP7FABP5NAAAHTT
SCHEMBL27546210 0.85 CHRM2 (0.38) EPHX1FABP7FABP5NAAAHTT
SCHEMBL13193998 0.85 CHRM2 (0.44) EPHX1FABP7FABP5NAAAHTT

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230272282-A1 LC MIXTURES WITH NEGATIVE DELTA EPSILONCONTAINING CC-4-V1 AND COB(S)-N-OM MERCK PATENT GMBH (DE) 2023-08-31 US disclosed
EP-1618101-B1 BENZOCHROMENE DERIVATIVES MERCK PATENT GMBH (DE) 2017-12-20 EP disclosed
US-8580142-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 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
EP-2239310-B1 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2012-06-27 EP 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-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-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

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 EPHX1 3271/4885FABP7 3694/4885FABP5 2397/4885
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 EPHX1 2425/4885FABP7 4125/4885FABP5 2608/4885
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 EPHX1 2000/4885FABP7 4862/4885FABP5 4446/4885
US-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 EPHX1 3538/4885FABP7 4258/4885FABP5 3054/4885
US-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE ROCK2, ROCK1, LEF1 EPHX1 2838/4885FABP7 4387/4885FABP5 3116/4885
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 EPHX1 3019/4885FABP7 4041/4885FABP5 3297/4885

“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.