SCHEMBL5852025

SCHEMBL5852025

COc1ccc(C2=C(c3ccccc3)CCCc3cc(OCc4ccccc4)ccc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.72
MAOB P27338 6/20 0.57
MAOA P21397 5/20 0.57
EBP Q15125 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
PTGER1 P34995 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NOD2 Q9HC29 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL5851639 0.95 ESR1 (0.78) ESR1MAOBMAOAEBPSIGMAR1
SCHEMBL7174574 0.89 EBP (0.67) ESR1MAOBMAOAEBPSIGMAR1
SCHEMBL5851932 0.88 ESR1 (0.57) ESR1MAOBMAOAEBPSIGMAR1
SCHEMBL5852029 0.87 MAOB (0.57) ESR1MAOBMAOAEBPSIGMAR1
SCHEMBL30724068 0.84 ESR1 (0.60) ESR1MAOBMAOAEBPSIGMAR1
SCHEMBL18871744 0.84 ESR1 (0.58) ESR1MAOBMAOAEBPSIGMAR1
SCHEMBL26957293 0.84 ESR1 (1.00) ESR1EBPSIGMAR1
SCHEMBL5852043 0.84 ESR1 (1.00) ESR1EBPSIGMAR1
SCHEMBL18815872 0.83 ESR1 (0.69) ESR1MAOBMAOAEBPSIGMAR1
SCHEMBL20231650 0.82 ESR1 (0.53) ESR1MAOBMAOAEBPSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7145015-B2 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain that latter as well as their use for the production of pharmaceutical agents SCHERING AG (DE) 2006-12-05 US disclosed
US-20050182081-A1 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain the latter as well as their use for the production of pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-18 US disclosed
US-6878750-B2 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain the latter as well as their use for the production of pharmaceutical agents SCHERING AG (DE) 2005-04-12 US disclosed
EP-1098874-B1 BENZOCYCLOHEPTENES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS, AND THEIR USE FOR PRODUCING MEDICAMENTS SCHERING AG (DE) 2003-06-18 EP disclosed
US-20030050324-A1 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain the latter as well as their use for the production of pharmaceutical agents SCHERING AG (DE) 2003-03-13 US disclosed
US-6495607-B2 8,9-DIHYDRO-7H-BENZOCYCLOHEPTENE DERIVATIVES ARE USEFUL FOR PHOPHYLAXIS AND THERAPY OF OSTEOPOROSIS(HAVE SELECTIVE ESTROGENIC ACTIVITY ON BONES) SCHERING AG (DE) 2002-12-17 US disclosed
US-20020068765-A1 BENZOCYCLOHEPTENES, PROCESS FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS THAT CONTAIN THE LATTER AS WELL AS THEIR USE FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-06-06 US disclosed
EP-1098874-A1 BENZOCYCLOHEPTENES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS, AND THEIR USE FOR PRODUCING MEDICAMENTS Schering Aktiengesellschaft (DE) 2001-05-16 EP disclosed
WO-2000003979-A1 BENZOCYCLOHEPTENES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS, AND THEIR USE FOR PRODUCING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-01-27 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 (3 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-20020068765-A1 BENZOCYCLOHEPTENES, PROCESS FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS THAT CONTAIN THE LATTER AS WELL AS THEIR USE FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS CYP19A1, ESRRA, SULT2A1 ESR1 36/4885MAOB 1178/4885MAOA 1553/4885
US-20050182081-A1 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain the latter as well as their use for the production of pharmaceutical agents CYP19A1, ESR2, ESRRA ESR1 8/4885MAOB 1023/4885MAOA 1390/4885
US-20030050324-A1 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain the latter as well as their use for the production of pharmaceutical agents CYP19A1, ESRRA, SULT2A1 ESR1 36/4885MAOB 1178/4885MAOA 1553/4885

“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.