SCHEMBL5857490

SCHEMBL5857490

C[C@]12C[C@@]3(c4ccc(OCCCCCCl)cc4)O[C@@]3(c3ccc(O)cc3)C[C@@H]1CC[C@@H]2O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.37
ESR1 P03372 9/20 0.36
ESR2 Q92731 2/20 0.34
LTA4H P09960 2/20 0.33
ESRRG P62508 2/20 0.33
ALOX5AP P20292 2/20 0.33
GPR119 Q8TDV5 1/20 0.31
CYP19A1 P11511 1/20 0.31

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
SCHEMBL5855583 0.81 ESR1 (0.53) ESR1ESR2
SCHEMBL6566287 0.81 ESR1 (0.53) ESR1ESR2
SCHEMBL5855586 0.81 ESR1 (0.53) ESR1ESR2
SCHEMBL5857082 0.74 ESR1 (0.46) NR5A1ESR1ESR2LTA4HESRRG
SCHEMBL5857093 0.73 NR5A1 (0.40) NR5A1ESR1ESR2LTA4HESRRG
SCHEMBL5855444 0.71 ESR1 (0.45) ESR1GPR119
SCHEMBL8193491 0.71 ESR1 (0.45) ESR1GPR119
SCHEMBL14559001 0.71 SMN1; SMN2 (0.35) ESR1ESR2
SCHEMBL5857365 0.70 ESR1 (0.47) NR5A1ESR1ESR2LTA4HESRRG
SCHEMBL5854195 0.70 ESR1 (0.37) NR5A1ESR1ESR2LTA4HESRRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086077-B1 NOVEL ANTIESTROGENS, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR PHARMACEUTICAL APPLICATION SCHERING AG (DE) 2004-04-07 EP claimed
US-20030162830-A1 New antiestrogens, process for their production and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-28 US claimed
US-6166075-A Antiestrogens, process for their production and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2000-12-26 US claimed
US-7074829-B2 Antiestrogens, process for their production and their pharmaceutical use SCHERING AG (DE) 2006-07-11 US disclosed
EP-1086077-B1 NOVEL ANTIESTROGENS, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR PHARMACEUTICAL APPLICATION SCHERING AG (DE) 2004-04-07 EP disclosed
US-20030162830-A1 New antiestrogens, process for their production and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-28 US disclosed
US-6559181-B1 A method to treat endometrial carcinoma, prostate cancer, or prostate hyperplasia comprising administering to a patient in need of such treatment an effective dose of a 3,4-Diphenyl-bicyclo(4.3.0)nonyl compound of formula I SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-06 US disclosed
EP-1086077-A1 NOVEL ANTIESTROGENS, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR PHARMACEUTICAL APPLICATION Schering Aktiengesellschaft (DE) 2001-03-28 EP disclosed
US-6166075-A Antiestrogens, process for their production and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
WO-1999064393-A1 NOVEL ANTIESTROGENS, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR PHARMACEUTICAL APPLICATION SCHERING AKTIENGESELLSCHAFT (DE) 1999-12-16 WO 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-20030162830-A1 New antiestrogens, process for their production and their pharmaceutical use CYP19A1, NR5A1, HSD17B11 NR5A1 2/4885ESR1 6/4885ESR2 7/4885

“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.