SCHEMBL12904822

SCHEMBL12904822

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 16/20 0.47
▸ PGR P06401 15/20 0.47
▸ NR3C2 P08235 7/20 0.47
▸ CYP19A1 P11511 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ SHBG P04278 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL13557241 1.00 AR (0.47) ARPGRNR3C2CYP19A1MEN1
SCHEMBL15417488 0.90 AR (0.39) ARPGRNR3C2
SCHEMBL12904848 0.88 NR1I2 (0.39) ARPGRNR3C2NR3C1SLC6A4
SCHEMBL12906920 0.86 AR (0.48) ARPGRNR3C2
SCHEMBL12904792 0.86 AR (0.45) ARPGRNR3C2CYP19A1CYP3A4
SCHEMBL12904814 0.83 AR (0.65) ARPGRNR3C2CYP19A1MEN1
SCHEMBL13557234 0.83 AR (0.65) ARPGRNR3C2CYP19A1MEN1
SCHEMBL12904896 0.83 AR (0.65) ARPGRNR3C2CYP19A1MEN1
SCHEMBL12942735 0.82 PGR (0.39) ARPGRNR3C2CYP19A1MEN1
SCHEMBL12904972 0.81 AR (0.56) ARPGRNR3C2MEN1CYP3A4

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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