SCHEMBL4796682

SCHEMBL4796682

CC(=O)N1Cc2ccc(C(=O)O)cc2CCc2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 16/20 0.78
NOTUM Q6P988 2/20 0.56
SRD5A1 P18405 1/20 0.50
SRD5A2 P31213 1/20 0.50
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL14084521 0.90 HSD17B3 (0.80) HSD17B3NOTUMALDH1A1
SCHEMBL19240154 0.83 HSD17B3 (1.00) HSD17B3NOTUMALDH1A1
SCHEMBL4798305 0.82 HSD17B3 (1.00) HSD17B3NOTUM
SCHEMBL4796294 0.81 HSD17B3 (0.67) HSD17B3NOTUMALDH1A1
SCHEMBL4799299 0.81 HSD17B3 (0.67) HSD17B3NOTUM
SCHEMBL4799120 0.81 HSD17B3 (0.81) HSD17B3NOTUM
SCHEMBL4798831 0.81 HSD17B3 (1.00) HSD17B3ALDH1A1
SCHEMBL4796887 0.80 HSD17B3 (0.82) HSD17B3NOTUMALDH1A1
SCHEMBL4809705 0.80 KDM4E (0.63) HSD17B3NOTUMSRD5A1SRD5A2ALDH1A1
SCHEMBL4800970 0.79 HSD17B3 (0.63) 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 4 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-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
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 465/4885SRD5A1 15/4885

“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.