SCHEMBL12365282

SCHEMBL12365282

N#Cc1ccc(C2=CCCCc3ccc(C(=O)O)cc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 10/20 0.50
▸ RARB P10826 10/20 0.50
▸ RARG P13631 10/20 0.50
▸ SLC22A12 Q96S37 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.42
▸ MAP4K4 O95819 1/20 0.41
▸ XDH P47989 1/20 0.39
▸ ADRB3 P13945 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ NR3C2 P08235 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 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
SCHEMBL12365027 0.93 RARA (0.52) RARARARBRARGSLC22A12ALDH1A1
SCHEMBL12365281 0.86 RARA (0.42) RARARARBRARGALDH1A1MAP4K4
SCHEMBL12365280 0.84 ALDH1A1 (0.49) RARARARBRARGALDH1A1KDM4E
SCHEMBL12366958 0.84 HTR2B (0.40) RARARARBRARGSLC22A12MAP4K4
SCHEMBL12389562 0.80 XDH (0.42) RARARARBRARGSLC22A12XDH
SCHEMBL12365024 0.79 RARA (0.43) RARARARBRARGMAP4K4XDH
SCHEMBL12365694 0.77 RARB (0.39) RARARARBRARGALDH1A1
SCHEMBL12365291 0.77 RARA (0.47) RARARARBRARGSLC22A12ALDH1A1
SCHEMBL12366685 0.77 HTR2B (0.42) RARARARBRARGMAP4K4
SCHEMBL12365082 0.77 ESR2 (0.46) RARARARBRARGALDH1A1LMNA

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 RARA 3177/4885RARB 3149/4885RARG 2057/4885

“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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