SCHEMBL12377041

SCHEMBL12377041

CC1CCC(c2ccc(-c3ccc(C4CCC(C)CC4)cc3F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.49
ESR2 Q92731 2/20 0.49
CYP3A4 P08684 4/20 0.48
APP P05067 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
PDK2 Q15119 1/20 0.34
HTR2A P28223 1/20 0.34
GRM2 Q14416 1/20 0.34
AKR1A1 P14550 1/20 0.33
AKR1B1 P15121 1/20 0.33
S1PR4 O95977 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
SCHEMBL14211884 0.94 CYP3A4 (0.56) FASNESR2CYP3A4APPCYP2C9
SCHEMBL10091195 0.94 CYP3A4 (0.56) FASNESR2CYP3A4APPCYP2C9
SCHEMBL18458595 0.94 CYP3A4 (0.56) FASNESR2CYP3A4APPCYP2C9
SCHEMBL16317705 0.94 FASN (0.47) FASNESR2CYP3A4APPCYP2C9
SCHEMBL20090795 0.93 FASN (0.45) FASNESR2CYP3A4APPCYP2C9
SCHEMBL2741531 0.92 FASN (0.47) FASNESR2CYP3A4APPCYP2C9
SCHEMBL91987 0.92 FASN (0.47) FASNESR2CYP3A4APPCYP2C9
SCHEMBL19820860 0.91 FASN (0.47) FASNESR2CYP3A4APPCYP2C9
SCHEMBL19020104 0.91 FASN (0.46) FASNESR2CYP3A4APPCYP2C9
SCHEMBL13408581 0.91 FASN (0.46) FASNESR2CYP3A4APPCYP2C9

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 1034 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-12043781-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
WO-2024133363-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2024-06-27 WO 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
US-20240067879-A1 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
WO-2024017812-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-01-25 WO disclosed
EP-4306615-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2024-01-17 EP disclosed
US-11873438-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-01-16 US disclosed
US-7189440-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2007-03-13 US disclosed
US-20070051920-A1 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2007-03-08 US disclosed
US-7182885-B2 Fluorinated indenes and 1,7-dihydroindacenes of negative dielectric anisotropy MERCK PATENT GMBH (DE) 2007-02-27 US disclosed
US-7179511-B2 For use in electro-optical displays MERCK PATENT GMBH (DE) 2007-02-20 US disclosed
US-20070034829-A1 liquid crystalline medium comprises at least one strongly polar two-ring compound containing at least one fluorine group and two benezne rings; liquid-crystalline medium has a dielectric relaxation frequency of more than 200 kHz at a temperature of 0 degrees C.; use in active matrix displays MERCK PATENT GMBH (DE) 2007-02-15 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-7166337-B2 Liquid-crystal composition, methods of adjusting the resistance, and substituted phenols MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2007-01-23 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.