SCHEMBL5851996

SCHEMBL5851996

CCCCN(C)C(=O)C[S+]([O-])CCN(C)CCOc1ccc(C2=C(c3ccccc3)CCCc3c(OC4CCCCO4)cccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.39
ESR2 Q92731 10/20 0.37
PPARG P37231 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A9 P48067 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
SCHEMBL5851991 0.90 ESR1 (0.49) ESR1ESR2PPARG
SCHEMBL5851556 0.87 ESR1 (0.41) ESR1ESR2PPARGMEN1KMT2A
SCHEMBL5852106 0.84 ESR1 (0.39) ESR1ESR2PPARGMEN1KMT2A
SCHEMBL5851861 0.84 ESR1 (0.39) ESR1ESR2PPARGMEN1KMT2A
SCHEMBL5851889 0.79 ESR1 (0.58) ESR1ESR2
SCHEMBL5852728 0.79 ESR1 (0.51) ESR1ESR2PPARG
SCHEMBL5851552 0.77 ESR1 (0.51) ESR1ESR2PPARG
SCHEMBL5851581 0.74 ESR1 (0.59) ESR1ESR2
SCHEMBL5851972 0.74 ESR1 (0.59) ESR1ESR2
SCHEMBL5852026 0.74 ESR1 (0.50) ESR1ESR2PPARGMEN1KMT2A

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 ESR1 36/4885ESR2 5/4885PPARG 125/4885
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 8/4885ESR2 2/4885PPARG 93/4885
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 36/4885ESR2 5/4885PPARG 125/4885

“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.