Sugi Predict

Sugi Predict / Compounds / SCHEMBL2888263

SCHEMBL2888263

SCHEMBL2888263

CCC[C@H]1CC[C@H](CCC2CCC(=O)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MAPT P10636 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ OPRM1 P35372 3/20 0.36
▸ OPRL1 P41146 3/20 0.36
▸ NOS3 P29474 3/20 0.34
▸ NOS1 P29475 3/20 0.34
▸ NOS2 P35228 3/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ DRD2 P14416 1/20 0.33

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
SCHEMBL2888265 1.00 TLR4 (0.40) TLR4ALDH1A1KMT2ACYP2C9MAPT
SCHEMBL178387 0.95 ALDH1A1 (0.41) TLR4ALDH1A1KMT2ACYP2C9MAPT
SCHEMBL9013274 0.91 CYP1A2 (0.42) TLR4ALDH1A1KMT2ACYP2C9MAPT
SCHEMBL9013281 0.91 CYP1A2 (0.42) TLR4ALDH1A1KMT2ACYP2C9MAPT
SCHEMBL1666552 0.87 TLR4 (0.51) TLR4ALDH1A1KMT2ACYP2C9MAPT
SCHEMBL8215701 0.87 TLR4 (0.51) TLR4ALDH1A1KMT2ACYP2C9MAPT
SCHEMBL1666553 0.87 TLR4 (0.51) TLR4ALDH1A1KMT2ACYP2C9MAPT
SCHEMBL2689965 0.87 NOS3 (0.40) TLR4ALDH1A1KMT2ACYP2C9MAPT
SCHEMBL9632248 0.86 HTT (0.34) TLR4NOS3NOS1NOS2
SCHEMBL9632244 0.86 HTT (0.34) TLR4NOS3NOS1NOS2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1897928-B1 Chlorofluorobenzene liquid crystal compound, liquid crystal composition and liquid crystal display device CHISSO CORP (JP) 2010-10-27 — — EP 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-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
EP-1897928-A1 Chlorofluorobenzene liquid crystal compound, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2008-03-12 — — EP disclosed
US-5858275-A Chlorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1999-01-12 — — US disclosed
CN-1158601-A Chlorobenzene derivatives and liquid crystal compositions containing the same CHISSO CORP (JP) 1997-09-03 — — CN disclosed
EP-0785179-A1 CHLOROBENZENE DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1997-07-23 — — EP disclosed
EP-0410756-B1 Cyclohexenylethane compounds CHISSO CORP (JP) 1994-09-14 — — EP disclosed
US-5279764-A Dihalogenobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 — — US disclosed
EP-0362318-B1 2,3-DIFLUOROBIPHENYLS MERCK PATENT GmbH (DE) 1993-08-04 — — EP disclosed
EP-0364538-B1 DIFLUOROBENZOL DERIVATIVES MERCK PATENT GmbH (DE) 1992-05-06 — — EP disclosed
EP-0280902-B1 CYCLOHEXANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1991-11-27 — — EP disclosed
US-5064565-A Liquid crystals CHISSO CORPORATION (JP) 1991-11-12 — — US disclosed
US-5032313-A Trifluorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1991-07-16 — — US disclosed
EP-0410756-A1 Cyclohexenylethane compounds Chisso Corporation (JP) 1991-01-30 — — EP disclosed
EP-0364538-A1 DIFLUOROBENZOL DERIVATIVES. MERCK PATENT GMBH (DE) 1990-04-25 — — EP disclosed
EP-0362318-A1 2,3-DIFLUOROBIPHENYLS. MERCK PATENT GMBH (DE) 1990-04-11 — — EP disclosed
WO-1989008687-A1 2,3-DIFLUOROBIPHENYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 — — WO disclosed
WO-1989008633-A1 DIFLUOROBENZOL DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 — — WO disclosed
US-4820443-A LOW VISCOSITY, LOW VOLTAGE CHISSO CORPORATION (JP) 1989-04-11 — — 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 (1 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-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 TLR4 4743/4885ALDH1A1 1528/4885KMT2A 1390/4885

“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.