SCHEMBL4138741

SCHEMBL4138741

O=C1c2ccc(Cl)cc2CCc2ccc(OC3CCOCC3)cc21

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.60
METAP1 P53582 1/20 0.39
HRH3 Q9Y5N1 4/20 0.38
CHEK1 O14757 1/20 0.37

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
SCHEMBL4813615 0.79 MAPK14 (0.52) MAPK14HRH3CHEK1
SCHEMBL2319465 0.78 MAPK14 (0.43) MAPK14METAP1CHEK1
SCHEMBL2318338 0.77 MAPK14 (0.61) MAPK14METAP1
SCHEMBL6198517 0.76 MAOB (0.48) MAPK14HRH3
SCHEMBL2318460 0.74 MAPK14 (0.67) MAPK14HRH3
SCHEMBL2601324 0.72 METAP1 (0.60) METAP1
SCHEMBL2317620 0.70 MIF (0.54) MAPK14METAP1
SCHEMBL2317919 0.69 AKR1B1 (0.59) MAPK14METAP1
SCHEMBL4135391 0.69 METAP1 (0.50) MAPK14METAP1
SCHEMBL5345106 0.69 TDP1 (0.66) MAPK14METAP1

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
EP-2349964-B1 DIBENZOCYCLOHEPTANONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS C A I R BIOSCIENCES GMBH (DE) 2015-09-09 EP disclosed
US-8633312-B2 Dibenzocycloheptatone derivatives and pharmaceutical agents containing said compounds C-A-I-R BIOSCIENCES GMBH (DE) 2014-01-21 US disclosed
US-8633312-B2 Dibenzocycloheptatone derivatives and pharmaceutical agents containing said compounds C-A-I-R BIOSCIENCES GMBH (DE) 2014-01-21 US disclosed
US-20120115862-A1 DIBENZOCYCLOHEPTATONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS C-A-I-R BIOSCIENCES GMBH (DE) 2012-05-10 US disclosed
US-20120115862-A1 DIBENZOCYCLOHEPTATONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS C-A-I-R BIOSCIENCES GMBH (DE) 2012-05-10 US disclosed
WO-2010040843-A2 DIBENZOCYCLOHEPTANONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS C-A-I-R BIOSCIENCES GMBH (DE) 2010-04-15 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-20120115862-A1 DIBENZOCYCLOHEPTATONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS IL1B, NFKBIA, IL1R1 MAPK14 2812/4885METAP1 3216/4885HRH3 195/4885

“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.