SCHEMBL4804415

SCHEMBL4804415

CC(=O)N1Cc2cc(-c3ccccc3C(=O)N3CCCC3)ccc2C=Cc2cc(Cl)ccc21

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 16/20 0.60
TSHR P16473 2/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 3/20 0.44
ALOX15 P16050 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4804401 1.00 HSD17B3 (0.60) HSD17B3TSHRRECQLLMNAALOX15
SCHEMBL4795520 0.89 HSD17B3 (0.69) HSD17B3
SCHEMBL4795528 0.89 HSD17B3 (0.69) HSD17B3
SCHEMBL4045578 0.88 HSD17B3 (0.65) HSD17B3
SCHEMBL4045585 0.88 HSD17B3 (0.65) HSD17B3
SCHEMBL6390310 0.87 HSD17B3 (0.64) HSD17B3
SCHEMBL6390313 0.87 HSD17B3 (0.64) HSD17B3
SCHEMBL4223294 0.85 HSD17B3 (0.71) HSD17B3
SCHEMBL4223300 0.85 HSD17B3 (0.71) HSD17B3
SCHEMBL4810031 0.85 HSD17B3 (0.58) 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 1/4885TSHR 4264/4885RECQL 999/4885

“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.