SCHEMBL5852044

SCHEMBL5852044

COc1ccc([C]2CCCCc3cc(OCc4ccccc4)ccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.58
MAOA P21397 12/20 0.58
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MAPK1 P28482 1/20 0.49
NOD2 Q9HC29 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
ESR1 P03372 2/20 0.46
BCHE P06276 1/20 0.46

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
SCHEMBL5851783 0.82 MAOB (0.55) MAOBMAOAMAPTNPSR1MAPK1
SCHEMBL5852029 0.81 MAOB (0.57) MAOBMAOAMAPTNPSR1MAPK1
SCHEMBL5852025 0.81 ESR1 (0.72) MAOBMAOAMAPTNPSR1MAPK1
SCHEMBL5851639 0.79 ESR1 (0.78) MAOBMAOAMAPTNPSR1MAPK1
SCHEMBL30714042 0.79 ADRA1D (0.60) MAOBMAOAMAPTHRH3
SCHEMBL3857144 0.77 MAOA (0.81) MAOBMAOA
SCHEMBL3451690 0.77 MAOB (0.94) MAOBMAOANPSR1
SCHEMBL30299191 0.75 HRH3 (0.72) MAOBMAOAMAPTHRH3
SCHEMBL23297253 0.75 MPO (0.50) MAOBMAOAMAPTNPSR1MAPK1
SCHEMBL31618714 0.74 MAOA (0.63) MAOBMAOAMAPTMAPK1HRH3

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 6 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
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

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 MAOB 1178/4885MAOA 1553/4885MAPT 3304/4885
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 MAOB 1023/4885MAOA 1390/4885MAPT 3558/4885
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 MAOB 1178/4885MAOA 1553/4885MAPT 3304/4885

“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.