SCHEMBL12365317

SCHEMBL12365317

O=C(O)c1ccc2c(c1)C(c1ccc(Cl)cc1F)=CCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 6/20 0.51
▸ SRD5A1 P18405 3/20 0.51
▸ KMO O15229 2/20 0.40
▸ MRGPRX4 Q96LA9 2/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ PRKAB2 O43741 1/20 0.37
▸ PRKAG1 P54619 1/20 0.37
▸ PRKAA2 P54646 1/20 0.37
▸ PRKAA1 Q13131 1/20 0.37
▸ PRKAG3 Q9UGI9 1/20 0.37
▸ PRKAG2 Q9UGJ0 1/20 0.37
▸ PRKAB1 Q9Y478 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PTGER1 P34995 1/20 0.37
▸ TTR P02766 2/20 0.36
▸ FASN P49327 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL12365839 0.91 SRD5A2 (0.49) SRD5A2SRD5A1MRGPRX4MAPK14ADRB1
SCHEMBL12365335 0.87 SRD5A2 (0.54) SRD5A2SRD5A1ALDH1A1TTRALOX15
SCHEMBL12365411 0.87 MAPK14 (0.50) SRD5A2SRD5A1KMOMAPK14ALDH1A1
SCHEMBL12365342 0.87 SRD5A2 (0.43) SRD5A2SRD5A1MRGPRX4MAPK14ADRB1
SCHEMBL12365301 0.86 MAPK14 (0.43) SRD5A2SRD5A1MAPK14ALDH1A1
SCHEMBL12365339 0.85 JAK2 (0.40) SRD5A2SRD5A1MRGPRX4MAPK14ALDH1A1
SCHEMBL12365700 0.85 SRD5A2 (0.39) SRD5A2SRD5A1MRGPRX4MAPK14ADRB1
SCHEMBL12365698 0.85 SRD5A2 (0.51) SRD5A2SRD5A1MRGPRX4ADRB1ADRB3
SCHEMBL12365397 0.85 SRD5A2 (0.41) SRD5A2SRD5A1MAPK14ALDH1A1PTGER1
SCHEMBL12365336 0.84 ALDH1A1 (0.41) SRD5A2SRD5A1MAPK14ALDH1A1TTR

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 3 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
EP-2177505-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-21 — — EP 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 247/4885KMO 920/4885

“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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