SCHEMBL12904814

SCHEMBL12904814

CC[C@]12CCC3C(CCC4=CC(=O)CC[C@@H]43)C1C1CC1[C@@]21C=CCO1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 13/20 0.65
▸ PGR P06401 12/20 0.65
▸ NR3C2 P08235 7/20 0.65
▸ LMNA P02545 3/20 0.51
▸ SLC6A4 P31645 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ESR1 P03372 2/20 0.51
▸ NR3C1 P04150 1/20 0.51
▸ SHBG P04278 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ OPRM1 P35372 1/20 0.49
▸ CYP19A1 P11511 2/20 0.45

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
SCHEMBL12904896 1.00 AR (0.65) ARPGRNR3C2LMNASLC6A4
SCHEMBL13557234 1.00 AR (0.65) ARPGRNR3C2LMNASLC6A4
SCHEMBL15417491 0.89 PGR (0.52) ARPGRNR3C2LMNASLC6A4
SCHEMBL13797342 0.88 AR (0.52) ARPGRNR3C2LMNASLC6A4
SCHEMBL12904833 0.87 NR1I2 (0.53) ARPGRNR3C2LMNASLC6A4
SCHEMBL12904900 0.86 AR (0.56) ARPGRNR3C2LMNASLC6A4
SCHEMBL12904972 0.86 AR (0.56) ARPGRNR3C2LMNASLC6A4
SCHEMBL12904827 0.86 AR (0.56) ARPGRNR3C2LMNASLC6A4
SCHEMBL12904815 0.86 AR (0.67) ARPGRNR3C2
SCHEMBL12904874 0.86 AR (0.67) ARPGRNR3C2

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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