SCHEMBL4886059

SCHEMBL4886059

C[C@]12CCC3c4ccc(B(O)O)cc4CCC3C1[C@H](CCC(=O)N1CCCCC1)CC2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 4/20 0.55
▸ HRH3 Q9Y5N1 11/20 0.47
▸ KCNH2 Q12809 2/20 0.47
▸ HSD17B1 P14061 2/20 0.41
▸ AKR1B10 O60218 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ SHBG P04278 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ SERPINA6 P08185 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ AR P10275 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ SNCA P37840 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
SCHEMBL4886055 1.00 STS (0.55) STSHRH3KCNH2HSD17B1AKR1B10
SCHEMBL3832451 0.95 STS (0.53) STSHRH3KCNH2HSD17B1AKR1B10
SCHEMBL3832452 0.95 STS (0.53) STSHRH3KCNH2HSD17B1AKR1B10
SCHEMBL4891359 0.92 STS (0.53) STSHRH3KCNH2HSD17B1AKR1B10
SCHEMBL22089087 0.88 HRH3 (0.49) STSHRH3KCNH2HSD17B1AKR1B10
SCHEMBL13374370 0.88 STS (0.60) STSHRH3KCNH2HSD17B1AKR1B10
SCHEMBL3830216 0.87 STS (0.51) STSHRH3KCNH2HSD17B1AKR1B10
SCHEMBL3831467 0.86 STS (0.50) STSHRH3KCNH2HSD17B1AKR1B10
SCHEMBL4893898 0.85 STS (0.53) STSHRH3KCNH2HSD17B1AKR1B10
SCHEMBL22089301 0.85 HRH3 (0.46) STSHRH3KCNH2HSD17B1

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-8288367-B2 Treatment or inhibition of a steroid hormone dependent disorder; reducing spermatogenesis or male virility; 17 beta -hydroxysteroid dehydrogenase (17 beta-HSD) inhibitors; compounds such as 3-(benzylamino)-15alpha-(4-morpholin-4-yl-4-oxobutyl)estra-1(10),2,4-trien-17-one SOLVAY PHARMACEUTICALS GMBH (DE) 2012-10-16 — — US claimed
US-20080255075-A1 SUBSTITUTED ESTRATRIENE DERIVATIVES AS 17BETA HSD INHIBITORS SOLVAY PHARMACEUTICALS GMBH (DE) 2008-10-16 — — US claimed
US-8288367-B2 Treatment or inhibition of a steroid hormone dependent disorder; reducing spermatogenesis or male virility; 17 beta -hydroxysteroid dehydrogenase (17 beta-HSD) inhibitors; compounds such as 3-(benzylamino)-15alpha-(4-morpholin-4-yl-4-oxobutyl)estra-1(10),2,4-trien-17-one SOLVAY PHARMACEUTICALS GMBH (DE) 2012-10-16 — — US disclosed
US-20080255075-A1 SUBSTITUTED ESTRATRIENE DERIVATIVES AS 17BETA HSD INHIBITORS SOLVAY PHARMACEUTICALS GMBH (DE) 2008-10-16 — — 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-20080255075-A1 SUBSTITUTED ESTRATRIENE DERIVATIVES AS 17BETA HSD INHIBITORS HSD17B11, HSD17B1, HSD17B2 STS 33/4885HRH3 2980/4885KCNH2 2973/4885

“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.

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