SCHEMBL3000978

SCHEMBL3000978

COc1ccc(-c2ccc(C(C)(c3ccc(OCc4ccccn4)cc3)C(C)C)cc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.58
GRM5 P41594 1/20 0.45
SYK P43405 10/20 0.44
AURKB Q96GD4 1/20 0.44
INCENP Q9NQS7 1/20 0.44
PTGS1 P23219 1/20 0.42
ADAMTS4 O75173 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
PARP10 Q53GL7 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
SCHEMBL3003688 0.86 ALOX5AP (0.65) ALOX5APSYKAURKBINCENPADAMTS4
SCHEMBL3000759 0.86 ALOX5AP (0.61) ALOX5APSYKAURKBINCENPADAMTS4
SCHEMBL2996703 0.86 ALOX5AP (0.59) ALOX5APGRM5SYKAURKBINCENP
SCHEMBL2988789 0.86 ALOX5AP (0.59) ALOX5APSYKAURKBINCENPADAMTS4
SCHEMBL2997610 0.85 ALOX5AP (0.57) ALOX5APGRM5SYKAURKBINCENP
SCHEMBL2990888 0.85 ALOX5AP (0.60) ALOX5APSYKAURKBINCENPADAMTS4
SCHEMBL3001136 0.85 ALOX5AP (0.60) ALOX5APSYKAURKBINCENPADAMTS4
SCHEMBL2996699 0.84 ALOX5AP (0.58) ALOX5APSYKAURKBINCENPADAMTS4
SCHEMBL3002224 0.83 ALOX5AP (0.59) ALOX5APSYKAURKBINCENPADAMTS4
SCHEMBL2991626 0.82 ALOX5AP (0.61) ALOX5APSYKAURKBINCENPADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2546232-A1 Diphenyl Substituted Alkanes Merck Sharp & Dohme Corp. (US) 2013-01-16 EP disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US disclosed
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 WO 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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B ALOX5AP 15/4885GRM5 1574/4885SYK 3416/4885

“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.