SCHEMBL4800173

SCHEMBL4800173

CCN(CC)C(=O)c1ccc2c(c1)C=Cc1cc(Cl)ccc1N(C(C)=O)C2

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 9/20 0.61
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
TSHR P16473 1/20 0.41
NOTUM Q6P988 3/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL4800159 1.00 HSD17B3 (0.61) HSD17B3HSP90AA1HSP90AB1TSHRNOTUM
SCHEMBL4798072 0.85 HSD17B3 (0.70) HSD17B3NOTUM
SCHEMBL4798056 0.85 HSD17B3 (0.70) HSD17B3NOTUM
SCHEMBL14084506 0.84 HSD17B3 (0.73) HSD17B3NOTUM
SCHEMBL14084533 0.82 HSD17B3 (0.63) HSD17B3NOTUMALDH1A1MAPTL3MBTL1
SCHEMBL4800848 0.81 HSD17B3 (0.61) HSD17B3NOTUM
SCHEMBL4799009 0.80 HSD17B3 (0.63) HSD17B3NOTUM
SCHEMBL4799021 0.80 HSD17B3 (0.63) HSD17B3NOTUM
SCHEMBL4045974 0.79 HSD17B3 (0.56) HSD17B3ALDH1A1L3MBTL1
SCHEMBL14084504 0.79 HSD17B3 (0.56) HSD17B3TSHRNOTUMALDH1A1HPGD

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 1/4885HSP90AA1 608/4885HSP90AB1 393/4885

“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.