SCHEMBL13062454

SCHEMBL13062454

CC[C@]12CCC3C(CC=C4C=C(OC)CC[C@@H]43)C1CC[C@@]21CCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 11/20 0.38
▸ PGR P06401 11/20 0.38
▸ NR3C2 P08235 5/20 0.38
▸ SRD5A2 P31213 1/20 0.34
▸ SLC6A4 P31645 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ NR3C1 P04150 2/20 0.34
▸ SHBG P04278 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ NR1I2 O75469 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ AGTR1 P30556 1/20 0.32
▸ DRD3 P35462 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
SCHEMBL13062185 0.85 SRD5A2 (0.40) ARPGRNR3C2SRD5A2MEN1
SCHEMBL13474760 0.85 SRD5A2 (0.40) ARPGRNR3C2SRD5A2MEN1
SCHEMBL13062190 0.84 AR (0.34) ARPGRNR3C2SRD5A2SLC6A4
SCHEMBL13013736 0.80 AR (0.61) ARPGRNR3C2
SCHEMBL4111659 0.78 SRD5A2 (0.37) ARPGRNR3C2SRD5A2SLC6A4
SCHEMBL9222367 0.76 AR (0.39) ARPGRNR3C2SRD5A2SLC6A4
SCHEMBL9222376 0.76 AR (0.39) ARPGRNR3C2SRD5A2SLC6A4
SCHEMBL13062191 0.75 PGR (0.66) ARPGRNR3C2SLC6A4MEN1
SCHEMBL987024 0.74 SRD5A2 (0.40) ARPGRNR3C2SRD5A2SLC6A4
SCHEMBL10631847 0.73 SRD5A2 (0.42) ARPGRNR3C2SRD5A2

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 AR 44/4885PGR 8/4885NR3C2 11/4885

“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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