SCHEMBL12365879

SCHEMBL12365879

N#Cc1ccc(F)c(C2=CCCc3ccc(C(=O)O)cc32)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 2/20 0.39
▸ RARB P10826 2/20 0.39
▸ RARG P13631 2/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ NR3C2 P08235 2/20 0.38
▸ AKR1C3 P42330 2/20 0.37
▸ AKR1C1 Q04828 1/20 0.37
▸ PTGER1 P34995 4/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ FFAR2 O15552 1/20 0.36
▸ RXRA P19793 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SRD5A1 P18405 1/20 0.35
▸ SRD5A2 P31213 1/20 0.35
▸ ALK Q9UM73 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
SCHEMBL12365877 0.87 NAMPT (0.43) PTGDR2MAPK14
SCHEMBL12365263 0.86 RARA (0.41) RARARARBRARGKDM4CAKR1C3
SCHEMBL12366932 0.85 HTR2B (0.39) —
SCHEMBL12365414 0.84 MAPK14 (0.45) KDM4CAKR1C3PTGER1MAPK14ALDH1A1
SCHEMBL12365091 0.84 MRGPRX4 (0.42) RARARARBRARGKDM4CNR3C2
SCHEMBL12388965 0.83 RARA (0.44) RARARARBRARGKDM4CPTGER1
SCHEMBL12365027 0.83 RARA (0.52) RARARARBRARGNR3C2SLC22A12
SCHEMBL12365839 0.83 SRD5A2 (0.49) PTGER1MAPK14ALDH1A1SRD5A1SRD5A2
SCHEMBL12365336 0.81 ALDH1A1 (0.41) KDM4CMAPK14ALDH1A1SRD5A1SRD5A2
SCHEMBL12389785 0.81 CYP11B1 (0.40) RARARARBRARGNR3C2ALK

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 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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