SCHEMBL12904800

SCHEMBL12904800

C[C@]12CCC3C(CCC4=CC(=NO)CC[C@@H]43)C1C1CC1[C@@]21C=CCO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 4/20 0.51
▸ PDK2 Q15119 4/20 0.51
▸ PDK3 Q15120 4/20 0.51
▸ PDK4 Q16654 4/20 0.51
▸ PGR P06401 9/20 0.48
▸ AR P10275 7/20 0.48
▸ NR3C2 P08235 4/20 0.47
▸ NR1I2 O75469 2/20 0.42
▸ NR3C1 P04150 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ AGTR1 P30556 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ LMNA P02545 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ ABCB11 O95342 2/20 0.37
▸ TSHR P16473 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
SCHEMBL12904978 0.86 PGR (0.64) PGRARNR3C2NR3C1SLC6A4
SCHEMBL12904786 0.86 PGR (0.64) PGRARNR3C2NR3C1SLC6A4
SCHEMBL12904969 0.86 PGR (0.64) PGRARNR3C2NR3C1SLC6A4
SCHEMBL12904915 0.86 PGR (0.64) PGRARNR3C2NR3C1SLC6A4
SCHEMBL12904887 0.86 PGR (0.64) PGRARNR3C2NR3C1SLC6A4
SCHEMBL12904811 0.86 PGR (0.50) PDK1PDK2PDK3PDK4PGR
SCHEMBL12904802 0.86 AR (0.50) PDK1PDK2PDK3PDK4PGR
SCHEMBL12904833 0.86 NR1I2 (0.53) PDK1PDK2PDK3PDK4PGR
SCHEMBL12904804 0.85 AR (0.51) PDK1PDK2PDK3PDK4PGR
SCHEMBL15417401 0.85 AR (0.50) PGRARNR3C2NR3C1SLC6A4

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 2 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-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 PDK1 1355/4885PDK2 2028/4885PDK3 1078/4885

“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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