SCHEMBL2769855

SCHEMBL2769855

CCCCCc1ccc(O)c(C#N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.53
PPARA Q07869 1/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
PTGS2 P35354 3/20 0.49
ESR1 P03372 2/20 0.49
ADRA2A P08913 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
TACR2 P21452 2/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
CYP3A4 P08684 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
SHBG P04278 1/20 0.49
TP53 P04637 1/20 0.49
HSPD1 P10809 1/20 0.49
ADRB3 P13945 1/20 0.49

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
SCHEMBL11422307 0.98 KAT8 (0.55) KAT8PPARAHSD17B10TSHRPTGS2
SCHEMBL10343234 0.98 KAT8 (0.55) KAT8PPARAHSD17B10TSHRPTGS2
SCHEMBL3967357 0.98 KAT8 (0.55) KAT8PPARAHSD17B10TSHRPTGS2
SCHEMBL11127882 0.95 NPC1 (0.50) KAT8PPARAHSD17B10TSHRPTGS2
SCHEMBL11321401 0.88 CNR1 (0.58) HSD17B10TSHRCYP3A4KDM4EHIF1A
SCHEMBL11660136 0.88 HSD17B10 (0.59) KAT8HSD17B10TSHRPTGS2ESR1
SCHEMBL9226224 0.86 HSD17B10 (0.61) KAT8HSD17B10TSHRPTGS2ESR1
SCHEMBL31220615 0.85 PPARA (0.55) KAT8PPARAHSD17B10TSHRPTGS2
SCHEMBL28826019 0.84 HSD17B10 (0.53) KAT8PPARAHSD17B10TSHRPTGS2
SCHEMBL17818519 0.83 HSD17B10 (0.56) KAT8PPARAHSD17B10TSHRPTGS2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005777-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-20180030050-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2018-02-01 US disclosed
US-8848158-B2 Liquid crystal display device and associated liquid crystal media for use in the same GENTEX CORPORATION (US) 2014-09-30 US disclosed
US-7803285-B2 Liquid crystal display device and associated liquid crystal media for use in the same GENTEX CORPORATION (US) 2010-09-28 US disclosed
US-20100097563-A1 Liquid crystal display device and associated liquid crystal media for use in the same GENTEX CORPORATION 2010-04-22 US disclosed
US-20100040804-A1 Liquid crystal display device and associated liquid crystal media for use in the same GENTEX CORPORATION 2010-02-18 US disclosed
US-4287085-A (2'-Cyano-4'-alkylphenyl)-3-cyano-4-alkoxybenzoates and liquid crystal composition including same KABUSHIKI KAISHA SUWA SEIKOSHA (JP) 1981-09-01 US disclosed
US-4279771-A (2'-Cyano-4'-n-alkyl)phenyl-3-chloro-4-n-alkoxy benzoates and liquid crystal compositions thereof KABUSHIKI KAISHA SUWA SEIKOSHA (JP) 1981-07-21 US disclosed
US-4073742-A Cyano-substituted biphenyl compounds and liquid crystalline dielectrics containing the same MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1978-02-14 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-10005777-B2 Protein kinase C inhibitors and uses thereof PRKCH, PRKCA, PRKCB KAT8 1936/4885PPARA 2553/4885HSD17B10 2599/4885
US-20180030050-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB KAT8 1936/4885PPARA 2553/4885HSD17B10 2599/4885

“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.