SCHEMBL13038832

SCHEMBL13038832

CC1CCC(C2CCC(c3ccc(O)c(F)c3F)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
NOTUM Q6P988 1/20 0.32
CYP19A1 P11511 2/20 0.31
STS P08842 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL15725306 0.95 ESR2 (0.44) ESR2NOTUMCYP19A1STSALOX5AP
SCHEMBL12662767 0.95 ESR2 (0.44) ESR2NOTUMCYP19A1STSALOX5AP
SCHEMBL13987419 0.94 ESR2 (0.37) ESR2CYP19A1STSALOX5APFEN1
SCHEMBL24203140 0.91 FEN1 (0.33) NOTUMCYP19A1STSALOX5APFEN1
SCHEMBL26672879 0.89 ESR2 (0.39) ESR2NOTUM
SCHEMBL739170 0.89 ESR2 (0.39) ESR2NOTUM
SCHEMBL26167260 0.87 ESR2 (0.39) ESR2
SCHEMBL29322497 0.86 FEN1 (0.37) NOTUMALOX5APFEN1
SCHEMBL25929340 0.86 FEN1 (0.35) NOTUMALOX5APFEN1
SCHEMBL25929172 0.86 FEN1 (0.35) NOTUMALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295510-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-09-21 US disclosed
US-20230295511-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-09-21 US disclosed
US-20230272282-A1 LC MIXTURES WITH NEGATIVE DELTA EPSILONCONTAINING CC-4-V1 AND COB(S)-N-OM MERCK PATENT GMBH (DE) 2023-08-31 US disclosed
US-11718791-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2023-08-08 US disclosed
US-20230242817-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POYLMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-08-03 US disclosed
US-11685863-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2023-06-27 US disclosed
US-20230159825-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-05-25 US disclosed
US-11655417-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-05-23 US disclosed
WO-2022129018-A1 HETEROAROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed
WO-2022128845-A1 HETEROAROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed
US-9234136-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2016-01-12 US disclosed
US-20140138581-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2014-05-22 US disclosed
US-7854970-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-21 US disclosed
US-7785677-B2 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) 2010-08-31 US disclosed
US-20100051864-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2010-03-04 US disclosed
US-20080315157-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 GESELLSCHAFT (DE) 2008-12-25 US disclosed
US-20080308768-A1 Liquid Crystalline Medium MERCK PATENT GMBH (DE) 2008-12-18 US disclosed
US-7371437-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2008-05-13 US disclosed
US-7351453-B2 Mixture of polar compounds of biphenyls, cyclohexane and phenyl substituted biphenyl; fast response time, a low threshold voltage, low temperature stability MERCK PATENT GMBH (DE) 2008-04-01 US disclosed
US-20070051920-A1 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2007-03-08 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-11718791-B2 Polymerisable compounds and the use thereof in liquid-crystal displays VCL, ILK, LCP1 ESR2 4146/4885NOTUM 3104/4885CYP19A1 4092/4885
US-11685863-B2 Polymerisable compounds and the use thereof in liquid-crystal displays LPXN, VCL, LCP1 ESR2 2906/4885NOTUM 3611/4885CYP19A1 1837/4885

“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.