SCHEMBL2861014

SCHEMBL2861014

Brc1c2ccccc2cc2c1ccc1c(-c3ccccc3)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
MPI P34949 1/20 0.43
TNF P01375 1/20 0.41
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 2/20 0.41
MAPK1 P28482 3/20 0.39
HSD17B10 Q99714 3/20 0.38
HIF1A Q16665 2/20 0.38
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CASP1 P29466 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL3000354 0.95 HDAC8 (0.41) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL28240412 0.90 CA12 (0.44) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL13249086 0.89 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHPGDHSD17B1
SCHEMBL2868561 0.87 SOS1 (0.43) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL2860111 0.84 SOS1 (0.45) ALDH1A1MEN1KMT2AHPGDMAPK1
SCHEMBL13249093 0.84 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHPGDHSD17B1
SCHEMBL2086224 0.84 HSD17B1 (0.40) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL2861982 0.84 DRD1 (0.38) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL13249096 0.81 SOS1 (0.47) ALDH1A1MEN1KMT2AHPGDMAPK1
SCHEMBL13249094 0.81 SOS1 (0.47) ALDH1A1MEN1KMT2AHPGDMAPK1

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
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
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
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
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 US disclosed
EP-2148909-A2 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2010-02-03 EP disclosed
WO-2008145239-A2 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-12-04 WO 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 ALDH1A1 26/4885MEN1 1959/4885KMT2A 2119/4885

“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.