SCHEMBL12365490

SCHEMBL12365490

CCc1ccccc1C1=CCCc2ccc(C(=O)O)cc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.47
▸ SRD5A1 P18405 1/20 0.47
▸ TTR P02766 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PTPRC P08575 2/20 0.39
▸ POLB P06746 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PLEC Q15149 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PDK2 Q15119 1/20 0.36
▸ S1PR5 Q9H228 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
SCHEMBL12365062 0.90 SRD5A2 (0.47) SRD5A2SRD5A1TTRALDH1A1PTPRC
SCHEMBL12365133 0.88 SRD5A2 (0.43) SRD5A2SRD5A1TTRALDH1A1PTPRC
SCHEMBL12390256 0.86 SRD5A2 (0.44) SRD5A2SRD5A1TTRALDH1A1KDM4E
SCHEMBL12365476 0.86 PDK2 (0.42) ALDH1A1KDM4EPTPRCLMNAHPGD
SCHEMBL12365492 0.85 SRD5A2 (0.43) SRD5A2SRD5A1TTRALDH1A1MAPT
SCHEMBL12364992 0.84 SRD5A2 (0.49) SRD5A2SRD5A1TTRALDH1A1KDM4E
SCHEMBL12366817 0.83 HTR2B (0.50) —
SCHEMBL12389853 0.83 TTR (0.49) SRD5A2SRD5A1TTRALDH1A1GAA
SCHEMBL12365080 0.83 SRD5A2 (0.50) SRD5A2SRD5A1TTRALDH1A1KDM4E
SCHEMBL12365007 0.82 SRD5A2 (0.49) SRD5A2SRD5A1TTRALDH1A1KDM4E

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.

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