SCHEMBL13655851

SCHEMBL13655851

O=Cc1cscc1Cc1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.43
PTGER2 P43116 1/20 0.43
PNMT P11086 1/20 0.40
CHRM2 P08172 2/20 0.39
DAO P14920 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1244026 0.82 MAPT (0.39) DAOTAAR1MEN1KMT2AMAOB
SCHEMBL1244097 0.82 CALM1 (0.41) MEN1KMT2AALDH1A1LMNA
SCHEMBL20767534 0.80 MEN1 (0.44) PTGER4PTGER2PNMTCHRM2DAO
SCHEMBL4090594 0.76 PNMT (0.43) PTGER4PTGER2PNMTDAOTAAR1
SCHEMBL4084814 0.75 PTGER4 (0.61) PTGER4PTGER2TAAR1ALDH1A1MAPT
Chlorobenzene SCHEMBL27780113 0.73 TSHR (0.37) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL17410226 0.73 PNMT (0.40) PNMTCHRM2DAOCHRM1CHRM3
SCHEMBL17398412 0.73 MEN1 (0.41) PNMTCHRM2DAOCHRM1CHRM3
SCHEMBL13655808 0.72 PTGER4 (0.46) PTGER4PTGER2PNMTCHRM2DAO
SCHEMBL17398724 0.72 DAO (0.41) PTGER4PNMTCHRM2DAOCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK CANADA INC. (CA) 2009-10-01 US 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-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS PTGER4, PTGER1, PTGER2 PTGER4 1/4885PTGER2 3/4885PNMT 4038/4885

“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.