SCHEMBL292645

SCHEMBL292645

OCCOB(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 5/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
ENPP2 Q13822 1/20 0.33

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
SCHEMBL117263 0.84 ALDH1A1 (0.45) MEN1KMT2AALDH1A1KDM4ECYP1A2
Benzene SCHEMBL10445518 0.84 ALDH1A1 (0.45) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL2782096 0.82 ALDH1A1 (0.34) ALDH1A1RECQLCA1CA2ENPP2
SCHEMBL20491586 0.81 MGLL (0.50) ALDH1A1RECQLCA1CA2MGLL
Fluorobenzene SCHEMBL10445356 0.76 ENPP2 (0.40) MEN1KMT2AALDH1A1KDM4ECYP1A2
Chlorobenzene SCHEMBL10445337 0.76 ORAI1 (0.46) MEN1KMT2AALDH1A1L3MBTL1KDM4E
Toluene SCHEMBL9334989 0.76 TSHR (0.39) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL23966 0.73 ENPP2 (0.62) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL4234167 0.73 ENPP2 (0.62) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL1491911 0.73 PCSK9 (0.41) MEN1KMT2AALDH1A1KDM4ECYP1A2

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
US-8932732-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-01-13 US disclosed
EP-2024310-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-14 EP disclosed
US-20090184313-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-07-23 US disclosed
EP-2024310-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2009-02-18 EP disclosed
WO-2007140847-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2007-12-13 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-20090184313-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, SLCO2A1, SLCO1A2 MEN1 1339/4885KMT2A 3476/4885ALDH1A1 641/4885

“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.