SCHEMBL12365529

SCHEMBL12365529

O=C(O)c1ccc2c(c1)C(c1ccccc1OC(F)F)=CCC2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.43
▸ SRD5A1 P18405 1/20 0.43
▸ TTR P02766 2/20 0.40
▸ PTPRC P08575 2/20 0.39
▸ PTGER1 P34995 1/20 0.37
▸ SYK P43405 1/20 0.37
▸ PDK2 Q15119 1/20 0.36
▸ PDE4A P27815 3/20 0.36
▸ PDE4B Q07343 3/20 0.36
▸ PDE4C Q08493 3/20 0.36
▸ PDE4D Q08499 3/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ DRD1 P21728 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
SCHEMBL12365526 0.88 PDK2 (0.41) PTPRCPDK2PDE4APDE4BPDE4C
SCHEMBL12366807 0.85 HTR2B (0.46) —
SCHEMBL12390182 0.84 SRD5A2 (0.46) SRD5A2SRD5A1TTRPTPRCMRGPRX4
SCHEMBL12390264 0.84 CSNK2A2 (0.44) SRD5A2SRD5A1TTRPTGER1SYK
SCHEMBL12390202 0.83 TTR (0.47) SRD5A2SRD5A1TTRPTPRCPTGER1
SCHEMBL12389853 0.81 TTR (0.49) SRD5A2SRD5A1TTRPTGER1MRGPRX4
SCHEMBL12365003 0.80 SRD5A2 (0.49) SRD5A2SRD5A1TTRPTPRCPTGER1
SCHEMBL12365080 0.79 SRD5A2 (0.50) SRD5A2SRD5A1TTRPTPRCPDK2
SCHEMBL12390118 0.78 MRGPRX4 (0.45) SRD5A2SRD5A1TTRPTGER1MRGPRX4
SCHEMBL12365007 0.78 SRD5A2 (0.49) SRD5A2SRD5A1TTRPTPRCPDK2

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 247/4885TTR 3588/4885

“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.

Send feedback