SCHEMBL12365263

SCHEMBL12365263

Cc1ccc(C#N)cc1C1=CCCc2ccc(C(=O)O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 5/20 0.41
▸ RARB P10826 5/20 0.41
▸ RARG P13631 5/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.39
▸ AKR1C3 P42330 2/20 0.37
▸ AKR1C1 Q04828 1/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ ALK Q9UM73 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SRD5A1 P18405 1/20 0.35
▸ SRD5A2 P31213 1/20 0.35
▸ GRIK1 P39086 1/20 0.34
▸ GRIA1 P42261 1/20 0.34
▸ GRIA2 P42262 1/20 0.34
▸ GRIA3 P42263 1/20 0.34
▸ GRIA4 P48058 1/20 0.34
▸ PTGER1 P34995 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
SCHEMBL12365091 0.91 MRGPRX4 (0.42) RARARARBRARGMRGPRX4KDM4C
SCHEMBL12365262 0.88 NAMPT (0.43) MRGPRX4MAPK14ALDH1A1SRD5A1SRD5A2
SCHEMBL12365879 0.86 RARA (0.39) RARARARBRARGKDM4CAKR1C3
SCHEMBL12388965 0.85 RARA (0.44) RARARARBRARGMRGPRX4KDM4C
SCHEMBL12389785 0.83 CYP11B1 (0.40) RARARARBRARGMRGPRX4ALK
SCHEMBL12365027 0.83 RARA (0.52) RARARARBRARGSLC22A12ALDH1A1
SCHEMBL12365272 0.82 MAPK14 (0.41) RARARARBRARGMRGPRX4KDM4C
SCHEMBL12365786 0.82 SRD5A2 (0.48) RARBRARGMRGPRX4ALDH1A1SRD5A1
SCHEMBL12364992 0.80 SRD5A2 (0.49) RARARARBRARGALDH1A1SRD5A1
SCHEMBL12389562 0.80 XDH (0.42) RARARARBRARGAKR1C3AKR1C1

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 1 patent. 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

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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