SCHEMBL2316936

SCHEMBL2316936

COc1cccc(C(=O)O)c1/C=C/c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.53
RELA Q04206 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
CYP2C9 P11712 1/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
APP P05067 1/20 0.45
MAOB P27338 2/20 0.45
KDM4E B2RXH2 1/20 0.44
MAOA P21397 1/20 0.44
GRIK1 P39086 1/20 0.43
ABCB1 P08183 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL2686912 1.00 NFE2L2 (0.53) NFE2L2RELACYP1A2CYP1A1CYP1B1
SCHEMBL1687392 0.75 RELA (0.59) NFE2L2RELACYP1A2CYP1A1CYP1B1
SCHEMBL1687390 0.75 RELA (0.59) NFE2L2RELACYP1A2CYP1A1CYP1B1
SCHEMBL2685486 0.75 RELA (0.59) NFE2L2RELACYP1A2CYP1A1CYP1B1
SCHEMBL2316051 0.75 RELA (0.59) NFE2L2RELACYP1A2CYP1A1CYP1B1
SCHEMBL28194174 0.75 GAA (0.58) CYP1A2CYP2C9MAPTKDM4EMEN1
SCHEMBL8675286 0.75 PTGER1 (0.54) CYP2C9
SCHEMBL10496449 0.75 GRIK1 (0.58) RELACYP1A2CYP1A1CYP1B1CYP2C9
SCHEMBL9798091 0.75 GRIK1 (0.58) RELACYP1A2CYP1A1CYP1B1CYP2C9
SCHEMBL19436961 0.74 AKR1C2 (0.56) NFE2L2MAPTALDH1A1KDM4EMEN1

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 13 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
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-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
US-20120115862-A1 DIBENZOCYCLOHEPTATONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS C-A-I-R BIOSCIENCES GMBH (DE) 2012-05-10 US disclosed
EP-2349964-A2 DIBENZOCYCLOHEPTANONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS c-a-i-r biosciences GmbH (DE) 2011-08-03 EP disclosed
EP-2206534-A1 Dibenzocycloheptanone derivatives und pharmaceutical agents containing these compounds c-a-i-r biosciences GmbH (DE) 2010-07-14 EP disclosed
EP-2206534-A1 Dibenzocycloheptanone derivatives und pharmaceutical agents containing these compounds c-a-i-r biosciences GmbH (DE) 2010-07-14 EP disclosed
WO-2010040843-A2 DIBENZOCYCLOHEPTANONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS C-A-I-R BIOSCIENCES GMBH (DE) 2010-04-15 WO 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 NFE2L2 311/4885RELA 15/4885CYP1A2 161/4885

“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.