SCHEMBL12364987

SCHEMBL12364987

Cc1ccc(C2=CCCc3ccc(C(=O)O)cc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 6/20 0.48
▸ RARG P13631 4/20 0.48
▸ RARA P10276 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ SRD5A2 P31213 3/20 0.40
▸ SRD5A1 P18405 2/20 0.40
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ CSNK2A3 Q8NEV1 1/20 0.40
▸ MAP4K4 O95819 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL12365038 0.89 MAPT (0.41) RARBRARGRARAALDH1A1SMN1; SMN2
SCHEMBL12365082 0.87 ESR2 (0.46) RARBRARGRARAALDH1A1SRD5A2
SCHEMBL12364994 0.86 SRD5A2 (0.49) RARBRARGRARAALDH1A1RXRA
SCHEMBL12364993 0.85 RARB (0.50) RARBRARGRARAALDH1A1MAPT
SCHEMBL12388903 0.85 RARA (0.50) RARBRARGRARAALDH1A1SMN1; SMN2
SCHEMBL12364977 0.85 TDP1 (0.47) RARBRARGRARAALDH1A1SMN1; SMN2
SCHEMBL12365695 0.85 RARB (0.50) RARBRARGRARAALDH1A1SMN1; SMN2
SCHEMBL12365524 0.84 PTGS2 (0.43) RARBRARGRARAALDH1A1KDM4E
SCHEMBL12365338 0.84 SRD5A2 (0.41) RARBRARGRARAALDH1A1SMN1; SMN2
SCHEMBL12365064 0.84 RARB (0.39) RARBRARGRARAALDH1A1SMN1; SMN2

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

“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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