SCHEMBL9612596

SCHEMBL9612596

O=C1c2ccccc2C(=O)c2c1c(Br)cc1ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.50
DNMT1 P26358 1/20 0.50
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
FTO Q9C0B1 1/20 0.46
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PTPRC P08575 2/20 0.40
LCK P06239 1/20 0.40
NSD2 O96028 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
MAOA P21397 3/20 0.39
FGR P09769 1/20 0.39

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
SCHEMBL19299601 0.95 CES1 (0.49) CES1DNMT1MEN1KMT2AMAPT
SCHEMBL11040014 0.78 DNMT1 (0.50) CES1DNMT1MEN1KMT2AMAPT
SCHEMBL11043679 0.78 CYP1A1 (0.51) CES1DNMT1MEN1KMT2AMAPT
SCHEMBL3967192 0.76 ALDH1A1 (0.40) CES1DNMT1MEN1KMT2AALDH1A1
SCHEMBL6905740 0.75 MEN1 (0.76) CES1DNMT1MEN1KMT2AMAPT
SCHEMBL3852137 0.74 CDK4 (0.44) CES1MEN1KMT2AMAPTALDH1A1
SCHEMBL11043607 0.74 MAPT (0.62) CES1DNMT1MEN1KMT2AMAPT
SCHEMBL10304672 0.74 ALDH1A1 (0.41) CES1DNMT1MEN1KMT2AMAPT
SCHEMBL1235463 0.73 CES1 (0.49) CES1DNMT1MEN1KMT2AMAPT
SCHEMBL5850565 0.73 MEN1 (0.58) CES1DNMT1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8986852-B2 Benzanthracene derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-24 US disclosed
US-8986852-B2 Benzanthracene derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-24 US disclosed
EP-2148909-B1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-30 EP disclosed
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 US disclosed
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 US disclosed
WO-2008145239-A2 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-12-04 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-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES KCNT1, KCNC1, TMEM109 CES1 3672/4885DNMT1 1518/4885MEN1 1959/4885

“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.