SCHEMBL4797362

SCHEMBL4797362

CC[N+]([O-])(CC)c1ccc2c(c1)CCc1ccccc1N(C(C)=O)C2

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 16/20 0.60
NOTUM Q6P988 2/20 0.48
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL19240154 0.77 HSD17B3 (1.00) HSD17B3NOTUMALDH1A1
SCHEMBL4798305 0.76 HSD17B3 (1.00) HSD17B3NOTUM
SCHEMBL14084521 0.76 HSD17B3 (0.80) HSD17B3NOTUMALDH1A1
SCHEMBL4796306 0.76 HSD17B3 (0.63) HSD17B3NOTUMPOLB
SCHEMBL4796682 0.75 HSD17B3 (0.78) HSD17B3NOTUMALDH1A1
SCHEMBL14084462 0.74 HSD17B3 (0.59) HSD17B3
SCHEMBL4796294 0.73 HSD17B3 (0.67) HSD17B3NOTUMALDH1A1
SCHEMBL4797027 0.73 HSD17B3 (0.59) HSD17B3NOTUMPOLBALDH1A1SMN1; SMN2
SCHEMBL4799258 0.73 HSD17B3 (0.80) HSD17B3NOTUMPOLBALDH1A1
SCHEMBL4800987 0.72 HSD17B3 (0.60) HSD17B3NOTUMALDH1A1SMN1; SMN2

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 1/4885NOTUM 465/4885POLB 681/4885

“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.