SCHEMBL12365064

SCHEMBL12365064

O=C(O)c1ccc2c(c1)C(c1ccc(CO)cc1)=CCC2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 6/20 0.39
▸ RARA P10276 3/20 0.39
▸ RARG P13631 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SRD5A2 P31213 4/20 0.38
▸ SRD5A1 P18405 3/20 0.38
▸ FOLH1 Q04609 1/20 0.38
▸ RXRB P28702 3/20 0.36
▸ RXRA P19793 2/20 0.36
▸ RXRG P48443 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ TDP2 O95551 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MPL P40238 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL12365695 0.88 RARB (0.50) RARBRARARARGALDH1A1SRD5A2
SCHEMBL12365060 0.86 ACMSD (0.41) ALDH1A1SRD5A2SRD5A1FOLH1NPC1
SCHEMBL12365126 0.86 RXRA (0.44) RARBRARARARGALDH1A1SRD5A2
SCHEMBL12365694 0.85 RARB (0.39) RARBRARARARGALDH1A1SRD5A2
SCHEMBL12365066 0.85 CYP4A11 (0.39) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12365082 0.85 ESR2 (0.46) RARBRARARARGALDH1A1SRD5A2
SCHEMBL12364994 0.84 SRD5A2 (0.49) RARBRARARARGALDH1A1SRD5A2
SCHEMBL12364987 0.84 RARB (0.48) RARBRARARARGALDH1A1SRD5A2
SCHEMBL12365038 0.84 MAPT (0.41) RARBRARARARGALDH1A1SRD5A2
SCHEMBL12366681 0.83 HTR2B (0.43) —

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 RARB 3149/4885RARA 3177/4885RARG 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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