SCHEMBL12365283

SCHEMBL12365283

COC(=O)c1ccc2c(c1)C(c1ccc(C#N)cc1)=CCCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.39
▸ RARA P10276 1/20 0.39
▸ RARB P10826 1/20 0.39
▸ RARG P13631 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ EGLN2 Q96KS0 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ EED O75530 1/20 0.37
▸ RBBP4 Q09028 1/20 0.37
▸ SUZ12 Q15022 1/20 0.37
▸ EZH2 Q15910 1/20 0.37
▸ AEBP2 Q6ZN18 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ VNN1 O95497 1/20 0.37
▸ ALDH1A1 P00352 3/20 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
SCHEMBL12365116 0.89 RARA (0.41) TP53RARARARBRARGUSP2
SCHEMBL12365291 0.86 RARA (0.47) TP53RARARARBRARGUSP2
SCHEMBL12365288 0.85 PTGS2 (0.44) TP53MAPTALDH1A1TSHRLMNA
SCHEMBL12365024 0.81 RARA (0.43) RARARARBRARGEGLN2PLAU
SCHEMBL12366974 0.81 CYP3A4 (0.39) TP53RARARARBRARGMAPT
SCHEMBL12365281 0.79 RARA (0.42) RARARARBRARGEGLN2PLAU
SCHEMBL12365360 0.78 EGLN2 (0.40) MAPTEGLN2PLAUCYP11B1CYP11B2
SCHEMBL12365913 0.77 RARA (0.51) RARARARBRARGMAPTEGLN2
SCHEMBL12365356 0.77 EGLN2 (0.40) TP53USP2MAPTEGLN2PLAU
SCHEMBL12365286 0.76 ALDH1A1 (0.43) TP53MAPTALDH1A1TSHRLMNA

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 TP53 2500/4885RARA 3177/4885RARB 3149/4885

“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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