SCHEMBL12365342

SCHEMBL12365342

O=C(O)c1ccc2c(c1)C(c1c(F)cc(Cl)cc1F)=CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 4/20 0.43
▸ SRD5A1 P18405 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ TTR P02766 2/20 0.38
▸ TDP2 O95551 1/20 0.36
▸ MRGPRX4 Q96LA9 2/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ GRK6 P43250 1/20 0.34
▸ ACLY P53396 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TPMT P51580 1/20 0.34
▸ PRKAB2 O43741 1/20 0.34
▸ PRKAG1 P54619 1/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34
▸ PRKAG3 Q9UGI9 1/20 0.34
▸ PRKAG2 Q9UGJ0 1/20 0.34

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
SCHEMBL12365239 0.91 MAPK14 (0.43) SRD5A2SRD5A1ALDH1A1MAPK14TTR
SCHEMBL12365785 0.89 SRD5A1 (0.41) SRD5A2SRD5A1ALDH1A1MAPK14TTR
SCHEMBL12365441 0.88 TTR (0.45) SRD5A2SRD5A1ALDH1A1MAPK14TTR
SCHEMBL12365445 0.88 ALDH1A1 (0.40) SRD5A2SRD5A1ALDH1A1MAPK14TTR
SCHEMBL12365317 0.87 SRD5A2 (0.51) SRD5A2SRD5A1ALDH1A1MAPK14TTR
SCHEMBL12365839 0.86 SRD5A2 (0.49) SRD5A2SRD5A1ALDH1A1MAPK14TTR
SCHEMBL12366154 0.86 KDM4C (0.39) SRD5A2SRD5A1ALDH1A1MAPK14TTR
SCHEMBL12365395 0.85 LMNA (0.46) SRD5A2SRD5A1ALDH1A1MAPK14MRGPRX4
SCHEMBL12365822 0.85 TTR (0.40) SRD5A2SRD5A1ALDH1A1MAPK14TTR
SCHEMBL12365340 0.85 MAPK14 (0.42) ALDH1A1MAPK14ACLY

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 247/4885ALDH1A1 934/4885

“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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