SCHEMBL12904792

SCHEMBL12904792

C=C1CC2C(CC[C@@]3(C)C2C2CC2[C@@]32C=CCO2)[C@H]2CCC(=O)C=C12

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 17/20 0.45
▸ PGR P06401 16/20 0.45
▸ NR3C2 P08235 8/20 0.45
▸ CYP19A1 P11511 1/20 0.41
▸ LMNA P02545 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL15417475 0.90 AR (0.36) ARPGRNR3C2CYP19A1
SCHEMBL12904805 0.87 PDK1 (0.37) ARPGRNR3C2
SCHEMBL13557241 0.86 AR (0.47) ARPGRNR3C2CYP19A1LMNA
SCHEMBL12904822 0.86 AR (0.47) ARPGRNR3C2CYP19A1LMNA
SCHEMBL12906882 0.86 PGR (0.45) ARPGRCYP19A1
SCHEMBL12904786 0.82 PGR (0.64) ARPGRNR3C2CYP19A1LMNA
SCHEMBL12904887 0.82 PGR (0.64) ARPGRNR3C2CYP19A1LMNA
SCHEMBL12904969 0.82 PGR (0.64) ARPGRNR3C2CYP19A1LMNA
SCHEMBL12904915 0.82 PGR (0.64) ARPGRNR3C2CYP19A1LMNA
SCHEMBL12904978 0.82 PGR (0.64) ARPGRNR3C2CYP19A1LMNA

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-8623850-B2 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) 2014-01-07 — — US disclosed
US-8623850-B2 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) 2014-01-07 — — US disclosed
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 AR 19/4885PGR 9/4885NR3C2 18/4885

“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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