SCHEMBL13062185

SCHEMBL13062185

COC1=CC2=CCC3C(CC[C@@]4(C)C3CC[C@@]43CCCO3)[C@H]2CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.40
▸ PGR P06401 3/20 0.35
▸ AR P10275 3/20 0.35
▸ NR3C2 P08235 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ NR3C1 P04150 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ TBXA2R P21731 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ABCB11 O95342 1/20 0.32

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
SCHEMBL13474760 1.00 SRD5A2 (0.40) SRD5A2PGRARNR3C2SMN1; SMN2
SCHEMBL13062454 0.85 AR (0.38) SRD5A2PGRARNR3C2MEN1
SCHEMBL13770471 0.83 SRD5A2 (0.38) SRD5A2PGRARNR3C2SMN1; SMN2
SCHEMBL13062444 0.83 SRD5A2 (0.38) SRD5A2PGRARNR3C2SMN1; SMN2
SCHEMBL12942776 0.79 PGR (0.44) SRD5A2PGRARNR3C2NR3C1
SCHEMBL12942712 0.79 PGR (0.44) SRD5A2PGRARNR3C2NR3C1
SCHEMBL13013688 0.78 AR (0.59) SRD5A2PGRARNR3C2
SCHEMBL4208643 0.78 SRD5A2 (0.40) SRD5A2PGRARNR3C2MEN1
SCHEMBL10953556 0.76 PGR (0.53) SRD5A2PGRARNR3C2SMN1; SMN2
SCHEMBL9226232 0.74 SRD5A2 (0.68) SRD5A2SMN1; SMN2MEN1KMT2A

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-20100317632-A1 17-(1'PROPENYL)-17-3'-OXIDOESTRA-4-EN-3-ONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-12-16 — — 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-20100317632-A1 17-(1'PROPENYL)-17-3'-OXIDOESTRA-4-EN-3-ONE DERIVATIVE, USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE NR5A1, CYP19A1, CYP17A1 SRD5A2 9/4885PGR 8/4885AR 44/4885

“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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