SCHEMBL4183897

SCHEMBL4183897

C[C@]12C[C@H](F)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.69
AKR1C3 P42330 2/20 0.69
TSHR P16473 1/20 0.69
MAPK1 P28482 1/20 0.69
CYP19A1 P11511 8/20 0.66
HSD17B1 P14061 6/20 0.66
STS P08842 5/20 0.66
LMNA P02545 2/20 0.66
MAPT P10636 2/20 0.66
AKR1B10 O60218 1/20 0.66
ESR1 P03372 1/20 0.66
SHBG P04278 1/20 0.66
CYP1A2 P05177 1/20 0.66
PGR P06401 1/20 0.66
SERPINA6 P08185 1/20 0.66
CYP3A4 P08684 1/20 0.66
AR P10275 1/20 0.66
AKR1B1 P15121 1/20 0.66
NFKB1 P19838 1/20 0.66
SLC6A4 P31645 1/20 0.66

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
SCHEMBL13804527 1.00 HSD17B10 (0.69) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL14569770 0.87 HSD17B10 (0.70) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL11458465 0.87 HSD17B10 (0.70) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL11687810 0.87 MEN1 (0.74) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL11692049 0.87 MEN1 (0.74) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL13930476 0.87 HSD17B10 (0.70) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL15971654 0.87 MEN1 (0.74) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL29198757 0.87 MEN1 (0.74) HSD17B10AKR1C3TSHRMAPK1CYP19A1
Methoxymethane SCHEMBL10335838 0.84 MEN1 (0.70) HSD17B10AKR1C3TSHRMAPK1CYP19A1
SCHEMBL5681977 0.84 AKR1C3 (0.79) HSD17B10AKR1C3TSHRMAPK1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1226155-B1 18-NOR-STEROIDS AS SELECTIVELY ACTIVE ESTROGENS BAYER SCHERING PHARMA AG (DE) 2007-05-02 EP disclosed
US-20050282791-A1 18-nor steroids as selectively active estrogens BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-22 US disclosed
US-6958327-B1 18 Norsteroids as selectively active estrogens SCHERING, AG (DE) 2005-10-25 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 (2 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 HSD17B10 37/4885AKR1C3 70/4885TSHR 1668/4885
US-20050282791-A1 18-nor steroids as selectively active estrogens GPER1, ESR2, ESRRA HSD17B10 370/4885AKR1C3 409/4885TSHR 389/4885

“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.