SCHEMBL944103

SCHEMBL944103

C=CCc1cc(COC)cc(CC=C)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
GABRA1 P14867 8/20 0.42
GABRB2 P47870 8/20 0.42
ALDH1A1 P00352 2/20 0.41
ALOX5 P09917 2/20 0.41
CYP3A4 P08684 1/20 0.41
AR P10275 1/20 0.41
PTGS1 P23219 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
DHFR P00374 1/20 0.40
PRKCE Q02156 2/20 0.39
MYLK Q15746 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
PRKCG P05129 1/20 0.39
PRKCA P17252 1/20 0.39
APEX1 P27695 1/20 0.39

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
SCHEMBL9765653 0.86 HSPA5 (0.46) KDM4EGABRA1GABRB2ALDH1A1ALOX5
SCHEMBL3259424 0.85 GABRA1 (0.41) KDM4EGABRA1GABRB2ALDH1A1ALOX5
SCHEMBL9403272 0.80 GABRA1 (0.38) KDM4EGABRA1GABRB2ALDH1A1ALOX5
SCHEMBL2461750 0.80 XDH (0.48) KDM4EGABRA1GABRB2ALDH1A1ALOX5
SCHEMBL14949891 0.80 PRKCE (0.52) KDM4EALDH1A1ALOX5PRKCEMYLK
SCHEMBL944245 0.80 ALDH1A1 (0.43) KDM4EGABRA1GABRB2ALDH1A1ALOX5
SCHEMBL8034320 0.80 TNKS (0.43) KDM4EGABRA1GABRB2ALDH1A1ALOX5
SCHEMBL9489328 0.78 DHFR (0.48) KDM4EGABRA1GABRB2ALDH1A1ALOX5
SCHEMBL11660801 0.78 GABRA1 (0.45) KDM4EGABRA1GABRB2ALDH1A1ALOX5
SCHEMBL4045452 0.78 GABRA1 (0.48) KDM4EGABRA1GABRB2ALDH1A1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292969-A Phenolic antioxidant and process ETHYL CORPORATION (US) 1994-03-08 US claimed
JP-3173843-A None JP disclosed
US-8766016-B2 Green and atom-economical processes for producing phenolic antioxidants ALBERMARLE CORPORATION (US) 2014-07-01 US disclosed
US-20120108854-A1 GREEN AND ATOM-ECONOMICAL PROCESSES FOR PRODUCING PHENOLIC ANTIOXIDANTS ALBEMARLE CORPORATION (US) 2012-05-03 US disclosed
WO-2011005735-A1 GREEN AND ATOM-ECONOMICAL PROCESSES FOR PRODUCING PHENOLIC ANTIOXIDANTS ALBEMARLE CORPORATION (US) 2011-01-13 WO disclosed
EP-0420025-B1 Process for the preparation of phenolic antioxidants ALBEMARLE CORP (US) 1995-12-27 EP disclosed
US-5292969-A Phenolic antioxidant and process ETHYL CORPORATION (US) 1994-03-08 US disclosed
US-5292969-A Phenolic antioxidant and process ETHYL CORPORATION (US) 1994-03-08 US disclosed
JP-H03173843-A PROCESS FOR PREPARATION OF PHENOLIC ANTIOXIDANT ETHYL CORP 1991-07-29 JP disclosed
EP-0420025-A2 Process for the preparation of phenolic antioxidants ALBEMARLE CORPORATION (US) 1991-04-03 EP disclosed
EP-0420025-A2 Process for the preparation of phenolic antioxidants ALBEMARLE CORPORATION (US) 1991-04-03 EP disclosed
US-4994628-A 3,5-Dialkyl-4-hydroxybenzyl-substituted benzenes by reacting 2,6-dialkyl-4-methoxymethyl phenols with benzene compound; sulfuric acid catalyst ETHYL CORPORATION (US) 1991-02-19 US disclosed
US-4994628-A 3,5-Dialkyl-4-hydroxybenzyl-substituted benzenes by reacting 2,6-dialkyl-4-methoxymethyl phenols with benzene compound; sulfuric acid catalyst ETHYL CORPORATION (US) 1991-02-19 US disclosed
US-4992597-A Reacting 2,6-dialkyl-4-methoxymethyl phenols with benzene compounds to produce 3,5-dialkyl-4-hydroxybenzyl-substituted benzene compounds ETHYL CORPORATION (US) 1991-02-12 US disclosed
US-4992597-A Reacting 2,6-dialkyl-4-methoxymethyl phenols with benzene compounds to produce 3,5-dialkyl-4-hydroxybenzyl-substituted benzene compounds ETHYL CORPORATION (US) 1991-02-12 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-20120108854-A1 GREEN AND ATOM-ECONOMICAL PROCESSES FOR PRODUCING PHENOLIC ANTIOXIDANTS TYR, TXN2, TFEB KDM4E 56/4885GABRA1 3041/4885GABRB2 2131/4885

“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.