SCHEMBL2313019

SCHEMBL2313019

COc1ccc(C(=O)O)c(CCc2cccc(Cl)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.54
AKR1C2 P52895 2/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
GFER P55789 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
APEX1 P27695 1/20 0.49
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
NR4A2 P43354 1/20 0.46
TAS2R14 Q9NYV8 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
GRIK1 P39086 1/20 0.46

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
SCHEMBL2316255 0.90 KMT2A (0.55) AKR1C3AKR1C2MEN1KMT2ALMNA
SCHEMBL2601330 0.85 DCLRE1B (0.51) AKR1C3MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4143150 0.83 DCLRE1B (0.47) AKR1C3MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL11688092 0.82 PTGER4 (0.54) AKR1C3SMN1; SMN2APEX1MRGPRX4TAS2R14
SCHEMBL7492550 0.81 ABCB1 (0.49) AKR1C3AKR1C2APEX1MRGPRX4MTNR1A
SCHEMBL11118833 0.79 SLC16A3 (0.53) AKR1C3MEN1KMT2ALMNAHPGD
SCHEMBL4674534 0.79 ABCB1 (0.59) APEX1HTR1A
SCHEMBL7918992 0.77 AKR1C3 (0.54) AKR1C3AKR1C2MEN1KMT2ALMNA
SCHEMBL30887371 0.77 MTNR1A (0.53) AKR1C3AKR1C2MEN1KMT2ASMN1; SMN2
SCHEMBL3098374 0.76 MTNR1A (0.58) AKR1C3AKR1C2LMNAHPGDSMN1; 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 11 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-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 AKR1C3 128/4885AKR1C2 253/4885MEN1 3031/4885

“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.