SCHEMBL30927

SCHEMBL30927

COC(=O)c1ccc(C2CCC(C)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.55
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 3/20 0.50
TSHR P16473 3/20 0.50
GAA P10253 2/20 0.50
CASP1 P29466 2/20 0.50
CASP7 P55210 2/20 0.50
ATM Q13315 2/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48

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
SCHEMBL21117295 0.95 ESR2 (0.50) ESR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL25884467 0.94 ESR2 (0.49) ESR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13267179 0.93 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL18078978 0.87 ACR (0.46) ESR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27267183 0.86 SMN1; SMN2 (0.53) ESR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30720642 0.86 SMN1; SMN2 (0.53) ESR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16684739 0.86 HDAC8 (0.61) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL12488363 0.86 HDAC1 (0.56) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL21288239 0.85 CA1 (0.55) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL38657721 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3307797-B1 ALIGNMENT POLYMERS TRANSITIONS OPTICAL INC (US) 2021-10-20 EP disclosed
US-11130912-B2 Alignment polymers TRANSITIONS OPTICAL, INC. (US) 2021-09-28 US disclosed
US-10875833-B2 Alignment compounds TRANSITIONS OPTICAL, INC. (US) 2020-12-29 US disclosed
EP-3307798-B1 ALIGNMENT COMPOUNDS TRANSITIONS OPTICAL INC (US) 2020-08-05 EP disclosed
US-10619098-B2 Ultraviolet light absorbers TRANSITIONS OPTICAL, INC. (US) 2020-04-14 US disclosed
EP-3201292-B1 ULTRAVIOLET LIGHT ABSORBERS TRANSITIONS OPTICAL INC (US) 2018-08-01 EP disclosed
US-20180127653-A1 Alignment Polymers TRANSITIONS OPTICAL, INC. 2018-05-10 US disclosed
US-20180127653-A1 Alignment Polymers TRANSITIONS OPTICAL, INC. 2018-05-10 US disclosed
US-20180086725-A1 Alignment Compounds TRANSITIONS OPTICAL, INC. 2018-03-29 US disclosed
US-20180086725-A1 Alignment Compounds TRANSITIONS OPTICAL, INC. 2018-03-29 US disclosed
US-20120002141-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2012-01-05 US disclosed
US-20120002141-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2012-01-05 US disclosed
US-20120003401-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2012-01-05 US disclosed
US-7914859-B2 Light modulation media, use in particular for electrooptic displays which are operated at a temperature at which the mesogenic modulation media are in an optically isotropic phase, preferably in a blue phase; reduced operating voltage, reduced temperature dependency of operating voltage, reliability MERCK PATENT GMBH (DE) 2011-03-29 US disclosed
US-7914859-B2 Light modulation media, use in particular for electrooptic displays which are operated at a temperature at which the mesogenic modulation media are in an optically isotropic phase, preferably in a blue phase; reduced operating voltage, reduced temperature dependency of operating voltage, reliability MERCK PATENT GMBH (DE) 2011-03-29 US disclosed
US-7838089-B2 with biphenylcyclohexane-based skeleton; nematic at room temperature, improved response; paraelectric SONY CORPORATION (JP) 2010-11-23 US disclosed
US-20090168009-A1 with biphenylcyclohexane-based skeleton; nematic at room temperature, improved response; paraelectric SONY CORPORATION (JP) 2009-07-02 US disclosed
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display MERCK PATENT GMBH (DE) 2008-05-22 US disclosed
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display MERCK PATENT GMBH (DE) 2008-05-22 US disclosed
EP-1739151-A1 Mesogenic compounds, liquid crystal medium and liquid display MERCK PATENT GmbH (DE) 2007-01-03 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 (6 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-10619098-B2 Ultraviolet light absorbers ERCC1, MCM4, ERCC4 ESR2 1035/4885ALDH1A1 590/4885KDM4E 1669/4885
US-20120003401-A1 MESOGENIC STABILIZERS PYM1, BMI1, C1S ESR2 2073/4885ALDH1A1 3077/4885KDM4E 720/4885
US-10875833-B2 Alignment compounds CYP19A1, ESR1, CCNE2 ESR2 44/4885ALDH1A1 955/4885KDM4E 811/4885
US-20120002141-A1 MESOGENIC STABILIZERS BMI1, METTL14, PYM1 ESR2 3153/4885ALDH1A1 3066/4885KDM4E 376/4885
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display CRY1, CRY2, IK ESR2 1851/4885ALDH1A1 2978/4885KDM4E 3764/4885
US-20180086725-A1 Alignment Compounds CYP19A1, ESR1, CCNE2 ESR2 44/4885ALDH1A1 955/4885KDM4E 811/4885

“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.