SCHEMBL9612411

SCHEMBL9612411

Ic1cc2cc3ccccc3cc2c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2C Q14957 1/20 0.50
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 6/20 0.46
HIF1A Q16665 2/20 0.46
CYP1B1 Q16678 1/20 0.46
HPRT1 P00492 2/20 0.39
TRPM4 Q8TD43 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
CYP2A6 P11509 1/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 4/20 0.36
HPGD P15428 3/20 0.36
THRB P10828 1/20 0.36
HTR2A P28223 1/20 0.35
NQO1 P15559 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL942452 0.83 GRIN2D (0.55) GRIN2DGRIN2AGRIN2CALDH1A1HSD17B10
SCHEMBL24514774 0.79 CYP1A2 (0.50) GRIN2DGRIN2AGRIN2CALDH1A1HSD17B10
SCHEMBL2861350 0.78 ALDH1A1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL6694549 0.77 PLAU (0.38) GRIN2DGRIN2AGRIN2CALDH1A1HSD17B10
Triphenylene SCHEMBL28075721 0.77 HPRT1 (0.59) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL296990 0.75 ALDH1A1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL14877458 0.75 ALDH1A1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL55388 0.75 ALDH1A1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL2222869 0.75 GRIN2D (0.45) GRIN2DGRIN2AGRIN2CALDH1A1HSD17B10
SCHEMBL29981934 0.75 ALDH1A1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1

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 9 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-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-08-30 US disclosed
US-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-08-30 US disclosed
EP-2148909-B1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-30 EP disclosed
WO-2011054442-A2 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-05-12 WO 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 (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-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES KCNT1, KCNC1, TMEM109 GRIN2D 1092/4885GRIN2A 983/4885GRIN2C 691/4885
US-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, DDT, ERCC1 GRIN2D 1016/4885GRIN2A 1008/4885GRIN2C 772/4885

“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.