SCHEMBL2932687

SCHEMBL2932687

Cc1cccc(C)c1COc1ccc2c(OCc3ccccc3)cc(C(=O)O)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.60
LTB4R Q15722 1/20 0.52
LTB4R2 Q9NPC1 1/20 0.52
MRGPRX4 Q96LA9 4/20 0.51
NR4A2 P43354 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SRD5A2 P31213 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL13057713 0.89 P2RY14 (0.48) P2RY14LTB4RLTB4R2MRGPRX4RXRA
SCHEMBL2933945 0.87 RECQL (0.45) P2RY14LTB4RLTB4R2MRGPRX4MEN1
SCHEMBL13057709 0.85 P2RY14 (0.53) P2RY14LTB4RLTB4R2MRGPRX4NR4A2
SCHEMBL6204953 0.84 P2RY14 (0.61) P2RY14LTB4RLTB4R2MRGPRX4NR4A2
SCHEMBL13807483 0.80 P2RY14 (0.48) P2RY14LTB4RLTB4R2MRGPRX4
SCHEMBL13057712 0.79 ALDH1A1 (0.43) MEN1KMT2AALDH1A1
SCHEMBL2934240 0.79 P2RY14 (0.65) P2RY14LTB4RLTB4R2MRGPRX4RXRA
SCHEMBL2932632 0.79 P2RY14 (0.64) P2RY14LTB4RLTB4R2MRGPRX4
SCHEMBL2927190 0.78 P2RY14 (0.64) P2RY14LTB4RLTB4R2MRGPRX4
SCHEMBL17318670 0.78 RXRA (0.58) LTB4RLTB4R2MRGPRX4NR4A2MEN1

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 423/4885LTB4R 1314/4885LTB4R2 655/4885

“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.