SCHEMBL3455378

SCHEMBL3455378

Brc1c2ccccc2c(Br)c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
HPRT1 P00492 3/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TNKS O95271 1/20 0.31

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
SCHEMBL2017149 0.88 ALDH1A1 (0.48) GRIN2DGRIN2AGRIN2BGRIN2CHSD17B1
SCHEMBL11977693 0.86 ALOX5 (0.37) GRIN2DGRIN2AGRIN2BGRIN2CHPRT1
SCHEMBL29396610 0.86 ALDH1A1 (0.50) GRIN2DGRIN2AGRIN2BGRIN2CHSD17B1
SCHEMBL9971879 0.86 ALDH1A1 (0.50) GRIN2DGRIN2AGRIN2BGRIN2CHSD17B1
SCHEMBL21037514 0.85 ALDH1A1 (0.44) GRIN2DGRIN2AGRIN2BGRIN2CESR1
SCHEMBL4133589 0.84 HPRT1 (0.45) HPRT1ALDH1A1
SCHEMBL26204089 0.84 HSD17B1 (0.40) GRIN2DGRIN2AGRIN2BGRIN2CHSD17B1
SCHEMBL3420935 0.83 ESR1 (0.48) HPRT1HSD17B1HSD17B2ESR1ESR2
SCHEMBL21517233 0.81 ALDH1A1 (0.41) GRIN2DGRIN2AGRIN2BGRIN2CHSD17B1
SCHEMBL17366608 0.81 ALDH1A1 (0.41) GRIN2DGRIN2AGRIN2BGRIN2CHSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10153450-B2 Fused aromatic derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2018-12-11 US disclosed
EP-2213641-B1 FUSED AROMATIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO (JP) 2018-05-16 EP disclosed
US-20140061628-A1 FUSED AROMATIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2014-03-06 US disclosed
US-20140061628-A1 FUSED AROMATIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2014-03-06 US disclosed
US-20140061628-A1 FUSED AROMATIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2014-03-06 US disclosed
US-8623520-B2 Fused aromatic derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-01-07 US disclosed
US-8623520-B2 Fused aromatic derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-01-07 US disclosed
US-8623520-B2 Fused aromatic derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-01-07 US disclosed
US-20100295030-A1 FUSED AROMATIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. 2010-11-25 US disclosed
US-20100295030-A1 FUSED AROMATIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. 2010-11-25 US disclosed
US-20100295030-A1 FUSED AROMATIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. 2010-11-25 US disclosed
EP-2213641-A1 FUSED AROMATIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2010-08-04 EP disclosed
EP-2213641-A1 FUSED AROMATIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2010-08-04 EP 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 (2 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-10153450-B2 Fused aromatic derivative and organic electroluminescence device using the same NRAS, RSU1, RAP1A GRIN2D 2912/4885GRIN2A 3122/4885GRIN2B 2616/4885
US-20100295030-A1 FUSED AROMATIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME NRAS, RSU1, RAP1A GRIN2D 2912/4885GRIN2A 3122/4885GRIN2B 2616/4885

“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.