SCHEMBL6656789

SCHEMBL6656789

CCCCCCCCCNC(=O)CC(=Cc1ccc(OC)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ CNR1 P21554 1/20 0.48
▸ PTGS2 P35354 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ PTGS1 P23219 1/20 0.47

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
SCHEMBL6656783 1.00 ALDH1A1 (0.51) ALDH1A1CNR1PTGS2NPC1RAB9A
SCHEMBL600722 0.85 LMNA (0.52) —
SCHEMBL600723 0.85 LMNA (0.52) —
SCHEMBL9301856 0.82 APEX1 (0.53) CNR1NPC1RAB9A
SCHEMBL2489081 0.82 APEX1 (0.53) CNR1NPC1RAB9A
SCHEMBL39941 0.82 APEX1 (0.53) CNR1NPC1RAB9A
SCHEMBL2490383 0.80 ALOX5 (0.54) CNR1NPC1RAB9A
SCHEMBL6367852 0.79 ALOX5 (0.58) NPC1RAB9A
SCHEMBL6654014 0.77 GSK3B (0.51) ALDH1A1NPC1RAB9A
SCHEMBL6654010 0.77 GSK3B (0.51) ALDH1A1NPC1RAB9A

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-20040254241-A1 Enzyme inhibitor; cognition activators KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-12-16 — — US disclosed
EP-1431280-A1 ARYL SULFAMATE DERIVATIVES Kyowa Hakko Kogyo Co., Ltd (JP) 2004-06-23 — — 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-20040254241-A1 Enzyme inhibitor; cognition activators SULT1A1, STS, CYP26A1 ALDH1A1 1187/4885CNR1 322/4885PTGS2 3492/4885

“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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