SCHEMBL3270112

SCHEMBL3270112

CCC[C@H]1CC[C@H](c2ccc(O)c(F)c2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
FYN P06241 1/20 0.38
OPRL1 P41146 10/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
ESR2 Q92731 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL1574998 1.00 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL13293543 1.00 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL3269921 0.96 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8077590 0.96 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL15255897 0.91 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL20273220 0.91 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7737022 0.90 MAPT (0.38) CYP2C9MAPTMEN1KMT2AOPRL1
SCHEMBL7737027 0.90 MAPT (0.38) CYP2C9MAPTMEN1KMT2AOPRL1
SCHEMBL7737024 0.90 MAPT (0.38) CYP2C9MAPTMEN1KMT2AOPRL1
SCHEMBL3269278 0.90 MAPT (0.38) CYP2C9MAPTMEN1KMT2AOPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114920631-B Compound, liquid crystal composition containing the compound, and liquid crystal display element using the liquid crystal composition 杰科达谘询有限公司 2024-12-20 CN disclosed
CN-115011358-A Hybrid liquid crystal compound, liquid crystal composition containing the same, and liquid crystal display element using the same 杰科达谘询有限公司 2022-09-06 CN disclosed
CN-114920631-A Compound, liquid crystal composition containing compound, and liquid crystal display element using liquid crystal composition 杰科达谘询有限公司 2022-08-19 CN disclosed
EP-2199270-B1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2016-05-25 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-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-30 US disclosed
EP-2199270-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-06-23 EP disclosed
EP-1081123-B1 2,3-Difluorophenyl derivative having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device CHISSO CORP (JP) 2004-03-03 EP disclosed
US-6548126-B1 Reduced electric power consumption and decreased leakage of electromagnetic waves CHISSO CORPORATION (JP) 2003-04-15 US disclosed
EP-1081123-A2 2,3-Difluorophenyl derivative having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2001-03-07 EP 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-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 CYP2C9 3041/4885ALDH1A1 4574/4885LMNA 2081/4885

“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.