SCHEMBL9914801

SCHEMBL9914801

OC1(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccccc2C(O)(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2cc(Br)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PDK2 Q15119 2/20 0.38
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
P2RX1 P51575 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX4 Q99571 1/20 0.32

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
SCHEMBL9914804 0.98 MEN1 (0.40) MEN1KMT2APDK2OPRM1OPRD1
SCHEMBL390934 0.85 PDK2 (0.45) MEN1KMT2APDK2OPRM1OPRD1
SCHEMBL29948098 0.85 PDK2 (0.45) MEN1KMT2APDK2OPRM1OPRD1
SCHEMBL13241717 0.85 PDK2 (0.45) MEN1KMT2APDK2OPRM1OPRD1
SCHEMBL824255 0.84 MEN1 (0.46) MEN1KMT2APDK2OPRM1OPRD1
SCHEMBL4585510 0.84 MEN1 (0.46) MEN1KMT2APDK2OPRM1OPRD1
SCHEMBL12791350 0.83 MAPK1 (0.45) MEN1KMT2APDK2OPRM1OPRD1
SCHEMBL2325430 0.82 ALDH1A1 (0.39) MEN1KMT2APDK2ALDH1A1L3MBTL1
SCHEMBL543298 0.80 PDK2 (0.44) MEN1KMT2APDK2OPRM1OPRD1
SCHEMBL15316880 0.77 DHFR (0.32) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318325-B2 Anthracene derivatives and organic electronic device using same LG CHEM, LTD. (KR) 2012-11-27 US disclosed
US-8318325-B2 Anthracene derivatives and organic electronic device using same LG CHEM, LTD. (KR) 2012-11-27 US disclosed
US-8197951-B2 Emitting material and organic light emitting diode using the same LG CHEM, LTD. (KR) 2012-06-12 US disclosed
US-8197951-B2 Emitting material and organic light emitting diode using the same LG CHEM, LTD. (KR) 2012-06-12 US disclosed
US-20110156017-A1 NOVEL ANTHRACENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-06-30 US disclosed
US-20110156017-A1 NOVEL ANTHRACENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-06-30 US disclosed
US-20070202355-A1 Emitting material and organic light emitting diode using the same LG CHEM. LTD. (KR) 2007-08-30 US disclosed
US-20070202355-A1 Emitting material and organic light emitting diode using the same LG CHEM. LTD. (KR) 2007-08-30 US 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-20110156017-A1 NOVEL ANTHRACENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING SAME VDAC2, VDAC3, ANXA1 MEN1 1725/4885KMT2A 1392/4885PDK2 2112/4885

“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.