SCHEMBL6849417

SCHEMBL6849417

CC(=O)O[C@@H]1C[C@]2(C)C(=O)CC[C@H]2[C@@H]2[C@H](CCCCCCCCCO)CC3=CC(=O)CC[C@@H]3[C@H]21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.41
AR P10275 2/20 0.38
AKR1C3 P42330 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PGR P06401 1/20 0.35

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
SCHEMBL6849024 0.92 CYP19A1 (0.40) CYP19A1ARAKR1C3TSHRMAPK1
SCHEMBL6852215 0.87 CYP19A1 (0.37) CYP19A1ARAKR1C3TSHRMAPK1
SCHEMBL6854222 0.84 CYP19A1 (0.40) CYP19A1AR
SCHEMBL4587874 0.82 CYP19A1 (0.47) CYP19A1ARAKR1C3TSHRMAPK1
SCHEMBL8083271 0.80 CYP19A1 (0.42) CYP19A1AKR1C3CYP3A4CYP2C9CYP2C19
SCHEMBL6912936 0.80 CYP19A1 (0.37) CYP19A1ARPGR
SCHEMBL9627682 0.80 CYP19A1 (0.55) CYP19A1ARPGR
SCHEMBL7020267 0.80 CYP19A1 (0.55) CYP19A1ARPGR
SCHEMBL13804526 0.77 CYP19A1 (0.57) CYP19A1ARAKR1C3TSHRMAPK1
SCHEMBL3653263 0.77 CYP19A1 (0.57) CYP19A1ARAKR1C3TSHRMAPK1

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-6780855-B2 TREATING A PATIENT SUFFERING FROM AN ESTROGEN DEPENDENT-DISEASE SCHERING AKTIENGESELLSCHAFT (DE) 2004-08-24 US disclosed
US-20030069434-A1 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA- SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2003-04-10 US disclosed
EP-1042355-B1 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METHOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS SCHERING AG (DE) 2003-02-12 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-20030069434-A1 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA- SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS CYP19A1, HSD17B11, NR5A1 CYP19A1 1/4885AR 159/4885AKR1C3 364/4885

“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.