Sugi Predict

Sugi Predict / Compounds / SCHEMBL1977541

SCHEMBL1977541

SCHEMBL1977541

C[C@]12CC[C@@H]3c4ccc(OC(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.80
▸ HSD17B1 P14061 3/20 0.76
▸ LMNA P02545 3/20 0.76
▸ MAPT P10636 2/20 0.76
▸ SMN1; SMN2 Q16637 2/20 0.76
▸ RECQL P46063 1/20 0.76
▸ KDM4E B2RXH2 2/20 0.76
▸ ALDH1A1 P00352 1/20 0.76
▸ STS P08842 9/20 0.74
▸ ABCC4 O15439 1/20 0.74
▸ CYP2C9 P11712 1/20 0.74
▸ ABCC1 P33527 1/20 0.74
▸ SLCO1B1 Q9Y6L6 1/20 0.74
▸ ESR1 P03372 3/20 0.70
▸ ESR2 Q92731 2/20 0.70
▸ CA1 P00915 2/20 0.70
▸ CA2 P00918 2/20 0.70
▸ CA9 Q16790 2/20 0.70
▸ CA4 P22748 1/20 0.70
▸ CA6 P23280 1/20 0.70

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
Estrone Acetate SCHEMBL603954 0.94 CYP3A4 (0.76) CYP3A4HSD17B1LMNAMAPTSMN1; SMN2
Estrone Acetate SCHEMBL20006536 0.94 CYP3A4 (0.76) CYP3A4HSD17B1LMNAMAPTSMN1; SMN2
Estrone Acetate SCHEMBL6241050 0.94 CYP3A4 (0.76) CYP3A4HSD17B1LMNAMAPTSMN1; SMN2
SCHEMBL12216745 0.90 CYP3A4 (0.75) CYP3A4HSD17B1LMNAMAPTSMN1; SMN2
SCHEMBL9790047 0.89 CYP3A4 (0.74) CYP3A4HSD17B1LMNAMAPTSMN1; SMN2
SCHEMBL7989780 0.89 CYP3A4 (0.74) CYP3A4HSD17B1LMNAMAPTSMN1; SMN2
Estrone Benzoate SCHEMBL18467888 0.89 CYP3A4 (1.00) CYP3A4HSD17B1LMNAMAPTSMN1; SMN2
Estrone Benzoate SCHEMBL1270198 0.89 CYP3A4 (1.00) CYP3A4HSD17B1LMNAMAPTSMN1; SMN2
Estrone Benzoate SCHEMBL14360647 0.89 CYP3A4 (1.00) CYP3A4HSD17B1LMNAMAPTSMN1; SMN2
SCHEMBL7992527 0.89 CYP3A4 (0.72) CYP3A4HSD17B1LMNAMAPTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003783-B2 Steroid 17 beta -hydroxysteroid dehydrogenase inhibitors substituted with one or more oxime groups, especially aromatase inhibitors used in the treatment of endocrine-dependent tumors, especially breast cancer STERIX LIMITED (GB) 2011-08-23 — — US disclosed
EP-2336146-A1 17beta-hydroxysteroid dehydrogenase inhibitors Sterix Limited (GB) 2011-06-22 — — EP disclosed
US-20060074060-A1 Compound STERIX LIMITED (GB) 2006-04-06 — — US disclosed
EP-1631579-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2006-03-08 — — EP disclosed
WO-2004085457-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS STERIX LIMITED (GB) 2004-10-07 — — WO 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-20060074060-A1 Compound HAT1, CBR3, ADH5 CYP3A4 122/4885HSD17B1 687/4885LMNA 1541/4885

“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.