SCHEMBL12949548

SCHEMBL12949548

C=CC1CC2=CC(=O)CC[C@@H]2C2CC[C@@]3(CC)C(CC[C@@]34CCC(=O)O4)C12

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 17/20 0.69
▸ PGR P06401 16/20 0.69
▸ NR3C2 P08235 4/20 0.54
▸ MEN1 O00255 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ NR3C1 P04150 1/20 0.42
▸ SHBG P04278 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ ESR1 P03372 1/20 0.42

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
SCHEMBL12949526 1.00 AR (0.69) ARPGRNR3C2MEN1CYP3A4
SCHEMBL12949519 0.87 AR (0.67) ARPGRNR3C2MEN1CYP3A4
SCHEMBL13062201 0.86 AR (0.69) ARPGRNR3C2MEN1CYP3A4
SCHEMBL12949520 0.86 AR (0.69) ARPGRNR3C2CYP3A4LMNA
SCHEMBL12949545 0.86 AR (0.69) ARPGRNR3C2CYP3A4LMNA
SCHEMBL12943047 0.83 AR (0.76) ARPGRNR3C2
SCHEMBL16572798 0.83 AR (0.76) ARPGRNR3C2
SCHEMBL12924043 0.82 AR (1.00) ARPGRNR3C2
SCHEMBL12923981 0.82 AR (1.00) ARPGRNR3C2
SCHEMBL12949523 0.81 PGR (0.66) ARPGRNR3C2MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021472-A1 17-HYDROXY-19-NOR-21-CARBOXYLIC ACID-STEROID Y-LACTONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING THE DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2011-01-27 — — 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-20110021472-A1 17-HYDROXY-19-NOR-21-CARBOXYLIC ACID-STEROID Y-LACTONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING THE DERIVATIVE CYP17A1, NR5A1, CYP19A1 AR 39/4885PGR 29/4885NR3C2 17/4885

“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.

Send feedback