SCHEMBL91870

SCHEMBL91870

CC1CCC(c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.43
ESR2 Q92731 1/20 0.42
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 2/20 0.38
APP P05067 2/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDK2 Q15119 1/20 0.33
AKR1A1 P14550 1/20 0.32
AKR1B1 P15121 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
SCHEMBL13433708 0.96 FASN (0.41) FASNESR2CYP3A4CYP2C9APP
SCHEMBL2741549 0.96 FASN (0.41) FASNESR2CYP3A4CYP2C9APP
SCHEMBL2741558 0.91 ESR2 (0.44) FASNESR2CYP3A4CYP2C9APP
SCHEMBL91927 0.89 FASN (0.42) FASNESR2CYP3A4CYP2C9APP
SCHEMBL4431638 0.89 FASN (0.42) FASNESR2CYP3A4CYP2C9APP
SCHEMBL14214748 0.88 ESR2 (0.47) FASNESR2CYP3A4CYP2C9APP
SCHEMBL13614726 0.88 FASN (0.41) FASNESR2CYP3A4CYP2C9APP
SCHEMBL14206983 0.88 FASN (0.41) FASNESR2CYP3A4CYP2C9APP
SCHEMBL14206989 0.88 FASN (0.41) FASNESR2CYP3A4CYP2C9APP
SCHEMBL13614719 0.88 FASN (0.43) FASNESR2CYP3A4CYP2C9APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043781-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
US-12043781-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
US-12043782-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
US-12043782-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
WO-2024017812-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-01-25 WO disclosed
US-11834599-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-12-05 US disclosed
US-11834599-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-12-05 US disclosed
US-20230383186-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-30 US disclosed
US-20070170395-A1 Liquid crystal medium MERCK PATENT GESELLSCHAFT 2007-07-26 US disclosed
US-7211302-B2 Photostable liquid crystalline medium MERCK PATENT GMBH (DE) 2007-05-01 US disclosed
US-20070080325-A1 Liquid crystal composition for use in bistable liquid crystal devices MERCK PATENT GMBH (DE) 2007-04-12 US disclosed
US-7198828-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT (DE) 2007-04-03 US disclosed
US-7189440-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2007-03-13 US disclosed
US-7179511-B2 For use in electro-optical displays MERCK PATENT GMBH (DE) 2007-02-20 US disclosed
US-20070034828-A1 Containing 3 directly connected rings: a fluorophenyl ring, a tetrahydropyran ring and either another tetrahydropyran ring or a 1,3-dioxane ring; electrooptical displays; MERCK PATENT GMBH (DE) 2007-02-15 US disclosed
US-20070034830-A1 Mixture of polar compounds containing cyclohexane and benzene rings some of which are vinylene-linked, especially containing fluoroalkoxy groups; for electrooptical twisted nematic monitor applications. MERCK PATENT GMBH (DE) 2007-02-15 US disclosed
US-7175891-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2007-02-13 US disclosed
US-20070001149-A1 Liquid-crystal medium containing monofluoroterphenyl compounds MERCK PATENT GMBH (DE) 2007-01-04 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-20240072425-A1 AROMATIC ISOTHIOCYANATES TRPA1, TRPC1, CRY1 FASN 4428/4885ESR2 3395/4885CYP3A4 3107/4885

“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.