SCHEMBL31037

SCHEMBL31037

Cc1cc2c(c(F)c1F)CC(C)CC2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2A13 Q16696 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
THRB P10828 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL26545164 1.00 CYP2A6 (0.39) CYP2A6ALDH1A1CYP2A13TSHRTP53
SCHEMBL21891623 1.00 CYP2A6 (0.39) CYP2A6ALDH1A1CYP2A13TSHRTP53
SCHEMBL25906703 0.88 ALDH1A1 (0.38) CYP2A6ALDH1A1CYP2A13TSHRTP53
SCHEMBL18269911 0.88 ALDH1A1 (0.38) CYP2A6ALDH1A1CYP2A13TSHRTP53
SCHEMBL21096538 0.84 CYP2A6 (0.33) CYP2A6ALDH1A1CYP2A13TSHR
SCHEMBL21386527 0.83
SCHEMBL803221 0.82
SCHEMBL19221798 0.81 TRPV1 (0.36) CYP2A6ALDH1A1CYP2A13TSHRMAPT
SCHEMBL19262458 0.79 HTR1D (0.31) CYP2A6ALDH1A1CYP2A13TSHR
SCHEMBL802798 0.79

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 805 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
EP-4400561-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2024-07-17 EP disclosed
WO-2024133363-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2024-06-27 WO disclosed
WO-2024132893-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-06-27 WO disclosed
WO-2024126567-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-06-20 WO disclosed
US-20240067879-A1 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-20240067879-A1 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-02-29 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
EP-2100944-A1 Liquid crystal medium and liquid crystal display MERCK PATENT GmbH (DE) 2009-09-16 EP disclosed
EP-2085454-A1 Liquid crystal medium and liquid crystal display MERCK PATENT GmbH (DE) 2009-08-05 EP disclosed
WO-2009033532-A1 2,5-SELENOPHENE DERIVATIVES AND 2,5-TELLUROPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2009-03-19 WO disclosed
WO-2009033564-A2 ELECTRO-OPTICAL LIGHT CONTROL ELEMENT, ELECTRO-OPTICAL DISPLAY AND CONTROL MEDIUM MERCK PATENT GMBH (DE) 2009-03-19 WO disclosed
US-20080149891-A1 STILBENE DERIVATIVES, LIQUID-CRYSTAL MIXTURES AND ELECTRO-OPTICAL DISPLAYS MERCK PATENT GESELLSCHAFT (DE) 2008-06-26 US disclosed
US-20080149891-A1 STILBENE DERIVATIVES, LIQUID-CRYSTAL MIXTURES AND ELECTRO-OPTICAL DISPLAYS MERCK PATENT GESELLSCHAFT (DE) 2008-06-26 US disclosed
EP-1932896-A1 Stilbene derivatives, liquid-crystal mixtures and electro-optical displays MERCK PATENT GmbH (DE) 2008-06-18 EP disclosed
WO-2008009417-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2008-01-24 WO disclosed
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 US disclosed
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 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 (2 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 CYP2A6 3225/4885ALDH1A1 1864/4885CYP2A13 4354/4885
US-20080149891-A1 STILBENE DERIVATIVES, LIQUID-CRYSTAL MIXTURES AND ELECTRO-OPTICAL DISPLAYS SBDS, LSS, VCL CYP2A6 3580/4885ALDH1A1 836/4885CYP2A13 3863/4885

“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.