SCHEMBL3640332

SCHEMBL3640332

O=C(O)c1cc2cc(-c3cccc(O)c3)ccc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 1/20 0.69
CLK1 P49759 1/20 0.55
DYRK1A Q13627 1/20 0.55
KDM4E B2RXH2 3/20 0.54
HPGD P15428 3/20 0.54
HSD17B10 Q99714 3/20 0.54
SRD5A2 P31213 2/20 0.54
MAPT P10636 1/20 0.54
DAO P14920 1/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP2C19 P33261 2/20 0.54
F7 P08709 1/20 0.54
F3 P13726 1/20 0.54
PIN1 Q13526 1/20 0.54
PDPK1 O15530 1/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
APEX1 P27695 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL3643396 0.88 SMAD3 (0.55) SMAD3CLK1DYRK1AKDM4EHPGD
SCHEMBL3700465 0.87 KDM4E (0.66) SMAD3KDM4EHPGDHSD17B10SRD5A2
SCHEMBL22777743 0.87 KDM4E (0.66) SMAD3KDM4EHPGDHSD17B10SRD5A2
SCHEMBL61386 0.82 SMAD3 (1.00) SMAD3CLK1DYRK1AKDM4EHPGD
SCHEMBL3640022 0.81 SMAD3 (0.51) SMAD3KDM4EHPGDHSD17B10SRD5A2
SCHEMBL6478522 0.80 SMAD3 (0.60) SMAD3KDM4EHPGDHSD17B10SRD5A2
SCHEMBL15642601 0.78 MMP2 (0.68) SMAD3KDM4EHPGDHSD17B10SRD5A2
SCHEMBL20494483 0.78 KDM4E (0.76) SMAD3KDM4EHPGDHSD17B10SRD5A2
SCHEMBL3499567 0.78 F7 (0.76) SMAD3KDM4EHPGDHSD17B10SRD5A2
SCHEMBL4137392 0.78 CDK8 (0.51) SMAD3KDM4EHPGDHSD17B10SRD5A2

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 SMAD3 4209/4885CLK1 4466/4885DYRK1A 1930/4885

“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.