SCHEMBL12942811

SCHEMBL12942811

C=C1CC2C(CC[C@@]3(C)C2C2CC2[C@@]32CCCO2)[C@H]2CCC(=O)C=C12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 14/20 0.50
▸ AR P10275 14/20 0.50
▸ CYP19A1 P11511 1/20 0.41
▸ NR3C1 P04150 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ABCC4 O15439 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ NR3C2 P08235 3/20 0.37
▸ PDE4D Q08499 1/20 0.35

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
SCHEMBL12942727 0.89 PGR (0.39) PGRARNR3C1LMNAABCC4
SCHEMBL12942735 0.86 PGR (0.39) PGRARCYP19A1NR3C1LMNA
SCHEMBL13797211 0.85 PGR (0.69) PGRARCYP19A1NR3C1LMNA
SCHEMBL12943024 0.85 PGR (0.69) PGRARCYP19A1NR3C1LMNA
SCHEMBL12942783 0.82 PGR (0.73) PGRARCYP19A1NR3C1LMNA
SCHEMBL13797350 0.82 PGR (0.73) PGRARCYP19A1NR3C1LMNA
SCHEMBL12942762 0.82 PGR (0.73) PGRARCYP19A1NR3C1LMNA
SCHEMBL12942772 0.82 PGR (0.73) PGRARCYP19A1NR3C1LMNA
SCHEMBL12904792 0.81 AR (0.45) PGRARCYP19A1LMNANR3C2
SCHEMBL12942848 0.80 PGR (0.74) PGRARCYP19A1NR3C1LMNA

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-20110003779-A1 15, 16-METHYLENE-17-(1'-PROPENYL)-17,3'-OXIDOESTRA-4-EN-3-ONE DERIVATIVE , USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-01-06 — — 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-20110003779-A1 15, 16-METHYLENE-17-(1'-PROPENYL)-17,3'-OXIDOESTRA-4-EN-3-ONE DERIVATIVE , USE THEREOF, AND MEDICAMENT CONTAINING SAID DERIVATIVE CYP19A1, NR5A1, SRD5A1 PGR 9/4885AR 19/4885CYP19A1 1/4885

“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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