SCHEMBL3030809

SCHEMBL3030809

O=C(O)C1Cc2ccc(Cl)cc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 6/20 0.43
TRPM4 Q8TD43 4/20 0.43
CDC25B P30305 1/20 0.38
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
SRD5A1 P18405 1/20 0.38
SRD5A2 P31213 1/20 0.38
AADAT Q8N5Z0 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL23088000 0.84 SIRT1 (0.44) TRPM5TRPM4AADAT
SCHEMBL10467284 0.82 FABP4 (0.49)
SCHEMBL29673179 0.80 KDM4C (0.46) PTGDRPTGDR2
SCHEMBL28766567 0.80 KDM4C (0.46) PTGDRPTGDR2
SCHEMBL6582614 0.78 MAPT (0.37) ALDH1A1CASP1
SCHEMBL19926708 0.78 ACHE (0.39) PTGDR2ALDH1A1TSHR
SCHEMBL27864837 0.77 OPRK1 (0.46) SRD5A1SRD5A2ALDH1A1TP53
SCHEMBL8118995 0.76 HRH2 (0.48) ALDH1A1
SCHEMBL23088507 0.76 MEN1 (0.52) TRPM5ALDH1A1TSHR
SCHEMBL10818600 0.75 ABAT (0.42) TRPM5TRPM4AADAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
EP-2203454-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. Organon (NL) 2010-07-07 EP disclosed
WO-2009037220-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2009-03-26 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-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES TPH1, HTR2C, TPH2 TRPM5 1692/4885TRPM4 2012/4885CDC25B 1380/4885

“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.