SCHEMBL6695703

SCHEMBL6695703

CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)CCCCC(=O)O)[C@@H]3CC[C@@H]12

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.52
HSD17B7 P56937 2/20 0.52
SRD5A2 P31213 1/20 0.51

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
SCHEMBL7072009 0.89 HSD17B7 (0.54) SRD5A1HSD17B7SRD5A2
SCHEMBL9066656 0.86 HSD17B7 (0.57) SRD5A1HSD17B7SRD5A2
SCHEMBL9066658 0.86 HSD17B7 (0.57) SRD5A1HSD17B7SRD5A2
SCHEMBL13656754 0.83 HSD17B7 (0.59) SRD5A1HSD17B7SRD5A2
SCHEMBL4264792 0.83 HSD17B7 (0.59) SRD5A1HSD17B7SRD5A2
SCHEMBL4264788 0.83 HSD17B7 (0.59) SRD5A1HSD17B7SRD5A2
SCHEMBL8724745 0.80 SRD5A1 (0.57) SRD5A1SRD5A2
SCHEMBL9066061 0.80 HSD17B7 (0.55) SRD5A1HSD17B7SRD5A2
SCHEMBL9270145 0.80 HSD17B7 (0.55) SRD5A1HSD17B7SRD5A2
SCHEMBL9066057 0.80 HSD17B7 (0.55) SRD5A1HSD17B7SRD5A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082556-A1 Inhibitors of type 5 and type 3 17beta-hydroxysteroid dehydrogenase and methods for their use ENDORECHERCHE, INC. 2004-04-29 US disclosed
EP-1321146-A2 Inhibitors of type 5 and 3 17beta-hydroxysteroid dehydrogenase and methods for their use Endorecherche Inc. (CA) 2003-06-25 EP disclosed
US-6541463-B1 17-spirolactone derivatives of steroids ENDORECHERCHE, INC. (CA) 2003-04-01 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-20040082556-A1 Inhibitors of type 5 and type 3 17beta-hydroxysteroid dehydrogenase and methods for their use HSD17B11, HSD17B3, HSD17B1 SRD5A1 5/4885HSD17B7 15/4885SRD5A2 8/4885

“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.