SCHEMBL3637178

SCHEMBL3637178

O=C(O)c1ccc(-c2cccc(O)c2)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 8/20 0.60
HSD17B2 P37059 8/20 0.60
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CHEK1 O14757 1/20 0.49
MAP4K4 O95819 1/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
P4HA1 P13674 1/20 0.46
MIF P14174 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
ESR1 P03372 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44
ESR2 Q92731 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44

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
SCHEMBL486067 0.83 KMO (0.59) MAP4K4CYP4F2CYP4A11P4HA1MIF
SCHEMBL28563936 0.83 DDT (0.61) HSD17B1HSD17B2MAP4K4P4HA1MIF
SCHEMBL29772925 0.83 DDT (0.61) HSD17B1HSD17B2MAP4K4P4HA1MIF
SCHEMBL29929320 0.82 HIF1A (0.55) MAP4K4P4HA1MIFP4HTMKDM4E
SCHEMBL71034 0.82 HIF1A (0.55) MAP4K4P4HA1MIFP4HTMKDM4E
SCHEMBL13680500 0.82 KMO (0.57) HSD17B1HSD17B2MAP4K4CYP4F2CYP4A11
SCHEMBL21552113 0.82 EGLN1 (0.58) MAP4K4P4HTMESR2EGLN1
SCHEMBL9939518 0.82 FTO (0.53) HSD17B1HSD17B2CYP3A4CYP2C9MAP4K4
SCHEMBL13731115 0.82 P4HTM (0.64) CYP3A4MAP4K4P4HA1MIFP4HTM
SCHEMBL11044314 0.80 P4HTM (0.53) MAP4K4P4HA1MIFP4HTMESR1

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
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP claimed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US claimed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO claimed
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP disclosed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US disclosed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 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-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 HSD17B1 354/4885HSD17B2 232/4885CYP3A4 245/4885

“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.