SCHEMBL2317620

SCHEMBL2317620

COc1ccc2c(c1)CCc1cc(Cl)ccc1C2=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.54
MAPK14 Q16539 8/20 0.53
METAP1 P53582 1/20 0.53
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CYP26A1 O43174 3/20 0.51
LMNA P02545 1/20 0.51
CYP19A1 P11511 1/20 0.51
MAPK1 P28482 1/20 0.50
CYP27A1 Q02318 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49

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
SCHEMBL2318338 0.94 MAPK14 (0.61) MAPK14METAP1
SCHEMBL2601324 0.86 METAP1 (0.60) MIFMETAP1CYP26A1CYP19A1
SCHEMBL7491470 0.81 MAPK14 (0.56) MIFMAPK14METAP1ALDH1A1MAPT
SCHEMBL3759572 0.81 MAPK14 (0.64) MIFMAPK14ALDH1A1MAPTSMN1; SMN2
SCHEMBL6176649 0.81 SLC6A15 (0.57) MIFALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL8166049 0.80 MIF (0.77) MIFALDH1A1MAPTSMN1; SMN2CYP26A1
SCHEMBL12204782 0.80 CYP26A1 (0.63) MIFALDH1A1MAPTSMN1; SMN2CYP26A1
SCHEMBL17108416 0.80 MPO (0.59) MIFMETAP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4148213 0.79 METAP1 (0.50) MIFMETAP1CYP19A1
SCHEMBL268592 0.79 KDM4E (0.56) MIFMETAP1ALDH1A1MAPTSMN1; SMN2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206534-A1 Dibenzocycloheptanone derivatives und pharmaceutical agents containing these compounds c-a-i-r biosciences GmbH (DE) 2010-07-14 EP claimed
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 MIF 411/4885MAPK14 2812/4885METAP1 3216/4885

“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.