SCHEMBL4798294

SCHEMBL4798294

CC(=O)N1Cc2ccc(-c3cccc(OCCCCN(C)C)n3)cc2CCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 17/20 0.48
CACNA1B Q00975 1/20 0.41
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL4802970 0.97 HSD17B3 (0.48) HSD17B3CACNA1BMKNK1MKNK2
SCHEMBL4798836 0.85 HSD17B3 (0.40) HSD17B3CACNA1B
SCHEMBL4798827 0.85 HSD17B3 (0.40) HSD17B3CACNA1B
SCHEMBL4797138 0.84 HSD17B3 (0.48) HSD17B3CACNA1B
SCHEMBL4796700 0.83 HSD17B3 (0.57) HSD17B3
SCHEMBL4797111 0.82 CACNA1B (0.42) HSD17B3CACNA1B
SCHEMBL4797103 0.82 CACNA1B (0.42) HSD17B3CACNA1B
SCHEMBL4800907 0.77 HSD17B3 (0.63) HSD17B3
SCHEMBL4795091 0.77 HSD17B3 (0.63) HSD17B3
SCHEMBL4801003 0.76 HSD17B3 (0.61) HSD17B3

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-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY 2005-11-10 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-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 HSD17B3, HSD17B11, HSD17B1 HSD17B3 1/4885CACNA1B 4310/4885MKNK1 1905/4885

“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.