SCHEMBL5897753

SCHEMBL5897753

C[C@]12CC=C3C4=C(CCCC4)CC[C@H]3[C@@H]1CC[C@@H]2O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.38
AR P10275 2/20 0.38
CYP19A1 P11511 16/20 0.37
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
SLC22A1 O15245 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SHBG P04278 1/20 0.34
SERPINA6 P08185 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL27062879 0.84 AR (0.38) NR3C1ARCYP19A1ESR1ESR2
SCHEMBL22917993 0.83 NR3C1 (0.42) NR3C1ARCYP19A1SLC22A1ALDH1A1
SCHEMBL24461176 0.83 AR (0.37) NR3C1ARCYP19A1ESR1ESR2
SCHEMBL24444457 0.83 NR3C1 (0.42) NR3C1ARCYP19A1SLC22A1ALDH1A1
SCHEMBL24445711 0.81 AR (0.38) NR3C1ARCYP19A1ESR1ESR2
SCHEMBL2530909 0.81 AR (0.38) NR3C1ARCYP19A1ESR1ESR2
SCHEMBL14149382 0.80 CYP19A1 (0.36) NR3C1ARCYP19A1ESR1ESR2
SCHEMBL1174533 0.80 NR3C1 (0.35) NR3C1ARCYP19A1ESR1ESR2
SCHEMBL12081921 0.80 NR3C1 (0.35) NR3C1ARCYP19A1ESR1ESR2
SCHEMBL20048228 0.80 NR3C1 (0.35) NR3C1ARCYP19A1ESR1ESR2

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-7119082-B2 11β-long-chain-substituted 19-nor-17α-pregna-1,3,5(10)-trien-17β-ols with a 21,16α-lactone ring SCHERING AKTIENGESELLSCHAFT (DE) 2006-10-10 US disclosed
EP-1490391-B1 19-NOR-17ALPHA-PREGNA-1,3,5(10)-TRIEN-17BETA-OLS WITH A 21,16ALPHA-LACTONE RING SUBSTITUTED WITH A LONG CHAIN AT THE 11BETA POSITION SCHERING AG (DE) 2005-12-21 EP disclosed
US-20030229059-A1 11Beta-long-chain-substituted 19-nor-17alpha-pregna-1,3,5(10)-trien-17beta-ols with a 21,16alpha-lactone ring SCHERING AG (DE) 2003-12-11 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-20030229059-A1 11Beta-long-chain-substituted 19-nor-17alpha-pregna-1,3,5(10)-trien-17beta-ols with a 21,16alpha-lactone ring HSD17B11, CYP17A1, CYP19A1 NR3C1 61/4885AR 95/4885CYP19A1 3/4885

“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.