SCHEMBL12365696

SCHEMBL12365696

Cc1ccc(C2=CCCc3ccc(C(=O)O)cc32)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 5/20 0.42
▸ SRD5A1 P18405 3/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ CSNK2A3 Q8NEV1 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TTR P02766 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ NR1I2 O75469 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35

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
SCHEMBL12365338 0.87 SRD5A2 (0.41) SRD5A2SRD5A1MRGPRX4ALDH1A1CSNK2A2
SCHEMBL12365335 0.87 SRD5A2 (0.54) SRD5A2SRD5A1ALDH1A1TSHRTTR
SCHEMBL12365679 0.87 MAPT (0.42) ALDH1A1L3MBTL1CA12CA1CA9
SCHEMBL12365339 0.85 JAK2 (0.40) SRD5A2SRD5A1MRGPRX4ALDH1A1CSNK2A2
SCHEMBL12365330 0.85 MAPK14 (0.43) SRD5A2SRD5A1ALDH1A1TSHRTTR
SCHEMBL12366860 0.84 HTR2B (0.44) SMN1; SMN2
SCHEMBL12365007 0.83 SRD5A2 (0.49) SRD5A2SRD5A1ALDH1A1TSHRTTR
SCHEMBL12365322 0.83 SRD5A2 (0.38) SRD5A2SRD5A1ALDH1A1CSNK2A2CSNK2B
SCHEMBL12365698 0.82 SRD5A2 (0.51) SRD5A2SRD5A1MRGPRX4ALDH1A1TSHR
SCHEMBL12389818 0.82 SRD5A2 (0.37) SRD5A2SRD5A1ALDH1A1CSNK2A2CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — US disclosed
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E SRD5A2 412/4885SRD5A1 247/4885MRGPRX4 2358/4885

“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.

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