SCHEMBL702001

SCHEMBL702001

OCCOCCOB(O)c1c2ccccc2c(B(O)O)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
IDO1 P14902 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 2/20 0.32
RECQL P46063 1/20 0.32
KDM4E B2RXH2 1/20 0.31
KCNH3 Q9ULD8 1/20 0.30

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
SCHEMBL4275372 0.90 IDO1 (0.36) MEN1KMT2AIDO1ALDH1A1RECQL
SCHEMBL4271540 0.84 IDO1 (0.39) MEN1KMT2AIDO1ALDH1A1RECQL
SCHEMBL700686 0.73 HTR2A (0.36) MEN1KMT2AIDO1ALDH1A1RECQL
SCHEMBL702357 0.70 ENPP2 (0.45) IDO1TSHRALDH1A1
SCHEMBL29396479 0.70 ENPP2 (0.45) IDO1TSHRALDH1A1
SCHEMBL4584090 0.68 LIPE (0.35) MEN1KMT2AIDO1ALDH1A1RECQL
Triethylene Glycol SCHEMBL9860213 0.66 MEN1 (0.58) MEN1KMT2AIDO1TSHRMAPK1
Biphenyl SCHEMBL11060972 0.64 ALDH1A1 (0.56) MEN1KMT2AIDO1TSHRMAPK1
Biphenyl SCHEMBL28144699 0.64 ALDH1A1 (0.56) MEN1KMT2AIDO1TSHRMAPK1
Benzene SCHEMBL10445518 0.64 ALDH1A1 (0.45) MEN1KMT2AIDO1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859005-B1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-04-27 EP disclosed
US-8124249-B2 Derivatives of fused aromatic systems; stability; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers MERCK PATENT GMBH (DE) 2012-02-28 US disclosed
US-20080171225-A1 Novel Materials For Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-07-17 US disclosed
EP-1859005-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2007-11-28 EP disclosed
WO-2006097208-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2006-09-21 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-20080171225-A1 Novel Materials For Organic Electroluminescent Devices OR10J3, EML4, TYR MEN1 3497/4885KMT2A 2174/4885IDO1 2789/4885

“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.