SCHEMBL4587874

SCHEMBL4587874

CC(=O)O[C@@H]1C[C@]2(C)C(=O)CC[C@H]2[C@H]2[C@H]1[C@H]1CCC(=O)C=C1C[C@H]2C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.47
AR P10275 3/20 0.47
PGR P06401 2/20 0.43
AKR1C3 P42330 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NR3C2 P08235 1/20 0.39

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
SCHEMBL3653263 0.84 CYP19A1 (0.57) CYP19A1ARPGRAKR1C3TSHR
SCHEMBL13804526 0.84 CYP19A1 (0.57) CYP19A1ARPGRAKR1C3TSHR
SCHEMBL6376819 0.83 CYP19A1 (0.52) CYP19A1ARPGRNR3C2
SCHEMBL4586771 0.82 AR (0.50) CYP19A1ARPGRNR3C2
SCHEMBL14342102 0.82 AR (0.50) CYP19A1ARPGRNR3C2
SCHEMBL6849417 0.82 CYP19A1 (0.41) CYP19A1ARPGRAKR1C3TSHR
SCHEMBL6849024 0.81 CYP19A1 (0.40) CYP19A1ARPGRAKR1C3TSHR
SCHEMBL13804516 0.80 CYP19A1 (0.49) CYP19A1ARPGRNR3C2
SCHEMBL4588011 0.80 CYP19A1 (0.49) CYP19A1ARPGRNR3C2
SCHEMBL4588578 0.80 CYP19A1 (0.49) CYP19A1ARPGRNR3C2

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-7361645-B2 Androgenic 7-substituted 11-halogen steroids BAYER SCHERING PHARMA AG (DE) 2008-04-22 US disclosed
EP-1353938-B1 ANDROGENIC 7-SUBSTITUTED 11-HALOGENATED STEROIDS BAYER SCHERING PHARMA AG (DE) 2008-02-13 EP disclosed
US-20050075322-A1 Androgenic 7-substituted 11-halogen steroids BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-04-07 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-20050075322-A1 Androgenic 7-substituted 11-halogen steroids NR5A1, HSD17B11, HSD11B1 CYP19A1 14/4885AR 16/4885PGR 174/4885

“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.