SCHEMBL2313792

SCHEMBL2313792

COc1cccc(C(=O)O)c1CCc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.53
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ACHE P22303 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
DHODH Q02127 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
GRIK1 P39086 1/20 0.43
PLA2G2A P14555 1/20 0.43
HSP90AA1 P07900 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL7284175 0.86 APEX1 (0.53) APEX1POLBPKMMEN1KMT2A
SCHEMBL8675272 0.81 PTGER1 (0.55) KDM4EMRGPRX4GAA
SCHEMBL2427873 0.77 HTT (0.56) MEN1KMT2AKDM4ENPC1
SCHEMBL17978208 0.76 APEX1 (0.56) APEX1MEN1KMT2AKDM4EDHODH
SCHEMBL6307911 0.76 FAAH (0.58) KMT2AKDM4EMRGPRX4HSP90AA1NPC1
SCHEMBL2316255 0.75 KMT2A (0.55) APEX1POLBMEN1KMT2AACHE
SCHEMBL2313019 0.75 AKR1C3 (0.54) APEX1MEN1KMT2AMAPTMRGPRX4
SCHEMBL15344602 0.75 PPARA (0.54) MEN1KMT2AKDM4E
SCHEMBL11118833 0.75 SLC16A3 (0.53) APEX1MEN1KMT2AMRGPRX4SMN1; SMN2
SCHEMBL8677030 0.74 ABCB1 (0.56) MRGPRX4

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 APEX1 3239/4885POLB 3085/4885PKM 3624/4885

“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.