SCHEMBL6853827

SCHEMBL6853827

C[C@]12C[C@H](F)[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCl)[C@H]3[C@@H]1CCC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.49
HSD17B10 Q99714 2/20 0.44
AKR1C3 P42330 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
ESR2 Q92731 6/20 0.42
HSD17B1 P14061 3/20 0.42
CYP19A1 P11511 3/20 0.42
CYP1A2 P05177 2/20 0.42
PGR P06401 2/20 0.42
CYP3A4 P08684 2/20 0.42
AKR1B10 O60218 1/20 0.42
LMNA P02545 1/20 0.42
SHBG P04278 1/20 0.42
SERPINA6 P08185 1/20 0.42
STS P08842 1/20 0.42
AR P10275 1/20 0.42
MAPT P10636 1/20 0.42
AKR1B1 P15121 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL6853734 0.99 ESR1 (0.50) ESR1HSD17B10AKR1C3TSHRMAPK1
SCHEMBL4191325 0.99 ESR1 (0.50) ESR1HSD17B10AKR1C3TSHRMAPK1
SCHEMBL9972605 0.99 ESR1 (0.50) ESR1HSD17B10AKR1C3TSHRMAPK1
SCHEMBL13807784 0.99 ESR1 (0.50) ESR1HSD17B10AKR1C3TSHRMAPK1
SCHEMBL3864635 0.90 ESR1 (0.50) ESR1HSD17B10AKR1C3TSHRMAPK1
SCHEMBL6849270 0.90 ESR1 (0.50) ESR1HSD17B10AKR1C3TSHRMAPK1
SCHEMBL6849122 0.90 ESR1 (0.50) ESR1HSD17B10AKR1C3TSHRMAPK1
SCHEMBL6849120 0.89 ESR1 (0.49) ESR1HSD17B10AKR1C3TSHRMAPK1
SCHEMBL7106646 0.89 ESR1 (0.49) ESR1HSD17B10AKR1C3TSHRMAPK1
SCHEMBL8381243 0.89 ESR1 (0.49) ESR1HSD17B10AKR1C3TSHRMAPK1

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 ESR1 15/4885HSD17B10 139/4885AKR1C3 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.