SCHEMBL12365133

SCHEMBL12365133

CN(C)Cc1ccccc1C1=CCCc2ccc(C(=O)O)cc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.43
▸ SRD5A1 P18405 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.39
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ TTR P02766 1/20 0.37
▸ PTPRC P08575 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL12365490 0.88 SRD5A2 (0.47) SRD5A2SRD5A1ALDH1A1TTRPTPRC
SCHEMBL12365357 0.88 LMNA (0.39) ALDH1A1RXRASLC6A2SLC6A4SLC6A3
SCHEMBL12365062 0.85 SRD5A2 (0.47) SRD5A2SRD5A1ALDH1A1TTRPTPRC
SCHEMBL12366702 0.85 HTR2B (0.46) —
SCHEMBL12390256 0.82 SRD5A2 (0.44) SRD5A2SRD5A1ALDH1A1TTRPTPRC
SCHEMBL12365492 0.81 SRD5A2 (0.43) SRD5A2SRD5A1ALDH1A1TTRPTPRC
SCHEMBL12365126 0.81 RXRA (0.44) SRD5A2SRD5A1ALDH1A1RXRARXRB
SCHEMBL12364992 0.80 SRD5A2 (0.49) SRD5A2SRD5A1ALDH1A1TTRPTPRC
SCHEMBL12389043 0.80 AOC3 (0.43) RXRARXRBRXRGPOLB
SCHEMBL12365080 0.79 SRD5A2 (0.50) SRD5A2SRD5A1ALDH1A1TTRPTPRC

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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