SCHEMBL3653263

SCHEMBL3653263

CC(=O)O[C@@H]1C[C@]2(C)C(=O)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@H]21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.57
PGR P06401 2/20 0.51
AKR1C3 P42330 3/20 0.50
MAPK1 P28482 2/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SERPINA6 P08185 1/20 0.43
MAPT P10636 2/20 0.43
NR3C1 P04150 1/20 0.43
CHRM2 P08172 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
AR P10275 1/20 0.43
CHRM1 P11229 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A2 P23975 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL13804526 1.00 CYP19A1 (0.57) CYP19A1PGRAKR1C3MAPK1TSHR
SCHEMBL4587874 0.84 CYP19A1 (0.47) CYP19A1PGRAKR1C3MAPK1TSHR
SCHEMBL13125426 0.82 CYP19A1 (0.64) CYP19A1PGRMAPK1TSHRHSD17B10
SCHEMBL10599486 0.82 CYP19A1 (0.64) CYP19A1PGRMAPK1TSHRHSD17B10
SCHEMBL908121 0.82 CYP19A1 (0.64) CYP19A1PGRMAPK1TSHRHSD17B10
SCHEMBL907789 0.82 CYP19A1 (0.64) CYP19A1PGRMAPK1TSHRHSD17B10
SCHEMBL12902155 0.82 CYP19A1 (0.64) CYP19A1PGRMAPK1TSHRHSD17B10
SCHEMBL14535132 0.82 CYP19A1 (0.64) CYP19A1PGRMAPK1TSHRHSD17B10
SCHEMBL6843517 0.81 CYP19A1 (0.65) CYP19A1PGRMAPK1TSHRHSD17B10
SCHEMBL14946858 0.81 CYP19A1 (0.65) CYP19A1PGRMAPK1TSHRHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231692-A1 METHOD FOR THE AROMATIZATION OF 19-NOR-ANDROST-4-EN-3-ONES INTO ESTRA-1,3,5(10)-TRIENES Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-29 EP disclosed
WO-2009074313-A1 METHOD FOR THE AROMATIZATION OF 19-NOR-ANDROST-4-EN-3-ONES INTO ESTRA-1,3,5(10)-TRIENES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-18 WO disclosed
US-20090156843-A1 PROCESS FOR AROMATIZING 19-NORANDROST-4-EN-3-ONES TO ESTRA-1,3,5(10)-TRIENES BAYER SCHERING PHARMA AG (DE) 2009-06-18 US disclosed
EP-2070942-A1 Method for aromatising 19-nor-androst-4-en-3-ones to estra-1,3,5(10)-trienes Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-17 EP 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-20090156843-A1 PROCESS FOR AROMATIZING 19-NORANDROST-4-EN-3-ONES TO ESTRA-1,3,5(10)-TRIENES CYP19A1, HSD17B11, NR5A1 CYP19A1 1/4885PGR 164/4885AKR1C3 70/4885

“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.