SCHEMBL6643390

SCHEMBL6643390

CCOc1c(N2CCc3ccccc32)c(=O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.43
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 3/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ BRCA1 P38398 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ NOTUM Q6P988 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GSK3B P49841 2/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL16026511 0.68 ALDH1A1 (0.46) ALDH1A1GAAMAPTTSHRALOX15
SCHEMBL17622338 0.68 ALOX15 (0.48) SRD5A1NPC1RAB9AALDH1A1MAPT
SCHEMBL15361901 0.67 KMT2A (0.59) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL5715497 0.65 ALDH1A1 (0.53) SRD5A1NPC1RAB9AALDH1A1MAPT
SCHEMBL19117986 0.65 SRD5A1 (0.56) SRD5A1NPC1RAB9AALDH1A1TSHR
SCHEMBL29652020 0.64 GSK3B (0.50) SRD5A1NPC1RAB9AALDH1A1MAPT
SCHEMBL12683737 0.64 ALDH1A1 (0.49) NPC1RAB9AALDH1A1GAAMAPT
SCHEMBL2699695 0.64 POLB (0.47) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL25026229 0.63 ALDH1A1 (0.55) SRD5A1ALDH1A1TSHRALOX15BRCA1
SCHEMBL17622337 0.63 ALOX15 (0.46) SRD5A1NPC1RAB9AALDH1A1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1197485-B1 Cyclobuten-dione derivatives for use in the treatment of artherosclerosis SERVIER LAB (FR) 2004-08-11 — — EP disclosed
US-6696469-B2 FOR TREATMENT OF DISEASES OR PATHOLOGICAL CONDITIONS IN WHICH ENDOTHELIAL DYSFUNCTION IS KNOWN; ATHEROSCLEROSIS, DYSLIPIDAEMIA, DIABETES LES LABORATOIRES SERVIER (FR) 2004-02-24 — — US disclosed
US-20020065419-A1 Cyclobutenedione compounds LES LABORATOIRES SERVIER (FR) 2002-05-30 — — US disclosed
EP-1197485-A1 Cyclobuten-dione derivatives for use in the treatment of artherosclerosis Les Laboratoires Servier (FR) 2002-04-17 — — 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-20020065419-A1 Cyclobutenedione compounds NR3C2, NR5A1, CYP11B1 SRD5A1 30/4885NPC1 3121/4885RAB9A 3079/4885

“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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