SCHEMBL2820028

SCHEMBL2820028

C=CC[C@]1(O)[C@H]2C[C@H]2[C@H]2[C@@H]3CC=C4CC5(CC[C@@H]4[C@H]3CC[C@@]21CC)OCCO5

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 3/20 0.33
▸ AR P10275 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2A Q12879 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ NR3C2 P08235 1/20 0.30

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
SCHEMBL16564588 0.87 PGR (0.39) PGRARALDH1A1LMNAESR1
SCHEMBL12998945 0.87 PGR (0.39) PGRARALDH1A1LMNAESR1
SCHEMBL2818173 0.86 GRIN1 (0.30) PGRARGRIN1GRIN2AGRIN2B
SCHEMBL12942819 0.77 AR (0.35) PGRARALDH1A1LMNAESR1
SCHEMBL2818103 0.76 PGR (0.33) PGRARALDH1A1LMNAESR1
SCHEMBL12973072 0.76 SRD5A2 (0.33) PGRARALDH1A1LMNAESR1
SCHEMBL16564585 0.75 GRIN1 (0.33) PGRARGRIN1GRIN2AGRIN2B
SCHEMBL12998946 0.75 GRIN1 (0.33) PGRARGRIN1GRIN2AGRIN2B
SCHEMBL10477545 0.74 PGR (0.35) PGRARLMNAESR1CHRM2
SCHEMBL13768463 0.74 AR (0.33) PGRARALDH1A1LMNAESR1

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
EP-2038294-B1 18-METHYL-19-NOR-ANDROST-4-EN-17,17-SPIROETHER (18-METHYL-19-NOR-20- SPIROX-4-EN-3-ONE) AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME BAYER SCHERING PHARMA AG (DE) 2010-12-08 — — EP disclosed
US-7846917-B2 18-Methyl-19-norandrost-4-ene 17, 17-spiro ether (18-methyl-19-nor-20-spirox-4-en-3-one), and pharmaceutical products comprising the same BAYER SCHERING PHARMA AG (DE) 2010-12-07 — — US disclosed
US-20080153787-A1 18-Methyl-19-norandrost-4-ene 17, 17-spiro ether (18-methyl-19-nor-20-spirox-4-en-3-one), and pharmaceutical products comprising the same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-06-26 — — 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-20080153787-A1 18-Methyl-19-norandrost-4-ene 17, 17-spiro ether (18-methyl-19-nor-20-spirox-4-en-3-one), and pharmaceutical products comprising the same NR3C2, HSD17B7, MC2R PGR 87/4885AR 31/4885ALDH1A1 593/4885

“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.

Send feedback