SCHEMBL12365038

SCHEMBL12365038

CC(=O)c1ccc(C2=CCCc3ccc(C(=O)O)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SRD5A2 P31213 3/20 0.40
▸ SRD5A1 P18405 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RARB P10826 10/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ RARA P10276 9/20 0.38
▸ RARG P13631 9/20 0.38
▸ TDP2 O95551 1/20 0.38
▸ RXRA P19793 1/20 0.37
▸ NR2E1 Q9Y466 1/20 0.37
▸ HSD17B1 P14061 1/20 0.37

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
SCHEMBL12364987 0.89 RARB (0.48) MAPTALDH1A1NPC1RAB9ASRD5A2
SCHEMBL12365082 0.87 ESR2 (0.46) ALDH1A1SRD5A2SRD5A1RARBESR2
SCHEMBL12365039 0.87 TDP2 (0.42) MAPTNPC1RAB9ASRD5A2SRD5A1
SCHEMBL12364994 0.86 SRD5A2 (0.49) ALDH1A1SRD5A2SRD5A1RARBRARA
SCHEMBL12388903 0.85 RARA (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2RARB
SCHEMBL12365032 0.85 SLC6A3 (0.45) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12365695 0.85 RARB (0.50) MAPTALDH1A1NPC1RAB9ASRD5A2
SCHEMBL12365524 0.84 PTGS2 (0.43) ALDH1A1SRD5A2SRD5A1RARBRARA
SCHEMBL12365064 0.84 RARB (0.39) ALDH1A1NPC1RAB9ASRD5A2SRD5A1
SCHEMBL12365158 0.83 CYP3A4 (0.49) MAPTALDH1A1SRD5A2SRD5A1TDP2

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 MAPT 463/4885ALDH1A1 934/4885NPC1 1519/4885

“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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