SCHEMBL2933136

SCHEMBL2933136

O=C(O)c1cc(-c2ccccc2)c2ccc(OCc3c(Cl)ccc(Cl)c3Cl)cc2c1

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.70
ALOX5 P09917 2/20 0.44
MRGPRX4 Q96LA9 3/20 0.42
TP53 P04637 1/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
NR4A2 P43354 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
MAPT P10636 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
SCHEMBL2929204 0.87 P2RY14 (0.53) P2RY14ALOX5MRGPRX4LTB4RLTB4R2
SCHEMBL9300510 0.83 P2RY14 (1.00) P2RY14ALOX5MRGPRX4LTB4RLTB4R2
SCHEMBL2930474 0.79 P2RY14 (0.56) P2RY14ALOX5MRGPRX4TP53NR4A2
SCHEMBL2934240 0.77 P2RY14 (0.65) P2RY14ALOX5MRGPRX4LTB4RLTB4R2
SCHEMBL2927190 0.76 P2RY14 (0.64) P2RY14ALOX5MRGPRX4LTB4RLTB4R2
SCHEMBL2934902 0.76 PTGER1 (0.40) P2RY14LTB4RLTB4R2MAPT
SCHEMBL2927315 0.76 P2RY14 (0.52) P2RY14ALOX5MRGPRX4TP53NR4A2
SCHEMBL2931721 0.76 P2RY14 (0.52) P2RY14TP53RAB9A
SCHEMBL9301210 0.75 P2RY14 (0.68) P2RY14ALOX5TP53NPC1RAB9A
SCHEMBL2932632 0.74 P2RY14 (0.64) P2RY14ALOX5MRGPRX4LTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 US disclosed
US-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 US disclosed
US-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 US disclosed
EP-2229373-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY Merck Frosst Canada Ltd. (CA) 2010-09-22 EP disclosed
WO-2009070873-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD. (CA) 2009-06-11 WO disclosed
WO-2009070873-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD. (CA) 2009-06-11 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-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY GPR119, GPR52, GPR35 P2RY14 423/4885ALOX5 131/4885MRGPRX4 390/4885

“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.