SCHEMBL12365335

SCHEMBL12365335

O=C(O)c1ccc2c(c1)C(c1ccc(Cl)cc1Cl)=CCC2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 6/20 0.54
▸ SRD5A1 P18405 3/20 0.54
▸ TSHR P16473 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ TTR P02766 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ PYGL P06737 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ALPL P05186 1/20 0.37
▸ TP53 P04637 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
SCHEMBL12365698 0.87 SRD5A2 (0.51) SRD5A2SRD5A1TSHRTTRKDM4E
SCHEMBL12365317 0.87 SRD5A2 (0.51) SRD5A2SRD5A1TSHRTTRALDH1A1
SCHEMBL12365330 0.87 MAPK14 (0.43) SRD5A2SRD5A1TSHRTTRALDH1A1
SCHEMBL12365696 0.87 SRD5A2 (0.42) SRD5A2SRD5A1TSHRSMN1; SMN2TTR
SCHEMBL12365839 0.86 SRD5A2 (0.49) SRD5A2SRD5A1TSHRTTRALDH1A1
SCHEMBL12365007 0.85 SRD5A2 (0.49) SRD5A2SRD5A1TSHRSMN1; SMN2TTR
SCHEMBL12365327 0.85 SLC6A3 (0.46) SRD5A2SRD5A1SMN1; SMN2KDM4ENPC1
SCHEMBL12366052 0.85 SRD5A2 (0.49) SRD5A2SRD5A1TSHRTTRALDH1A1
SCHEMBL12365786 0.85 SRD5A2 (0.48) SRD5A2SRD5A1TSHRSMN1; SMN2TTR
SCHEMBL12389206 0.84 SRD5A2 (0.48) SRD5A2SRD5A1TTRALDH1A1

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 247/4885TSHR 821/4885

“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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