SCHEMBL2222869

SCHEMBL2222869

Ic1cc2c3ccccc3c(I)cc2c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2C Q14957 1/20 0.45
HPRT1 P00492 3/20 0.36
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 4/20 0.35
HPGD P15428 2/20 0.35
HIF1A Q16665 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HSP90AA1 P07900 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
EGFR P00533 1/20 0.35
LMNA P02545 1/20 0.35
ERBB2 P04626 1/20 0.35
TP53 P04637 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL13706556 0.85 HPRT1 (0.64) GRIN2DGRIN2AGRIN2CHPRT1ALDH1A1
SCHEMBL22802372 0.85 GRIN2D (0.38) GRIN2DGRIN2AGRIN2CALDH1A1HPGD
SCHEMBL25548109 0.85 HPRT1 (0.57) GRIN2DGRIN2AGRIN2CHPRT1ALDH1A1
SCHEMBL942452 0.80 GRIN2D (0.55) GRIN2DGRIN2AGRIN2CHPRT1ALDH1A1
SCHEMBL3838850 0.77 GRIN2D (0.38) GRIN2DGRIN2AGRIN2CALDH1A1HSD17B10
SCHEMBL29926858 0.76 ALDH1A1 (0.39) GRIN2DGRIN2AGRIN2CHPRT1ALDH1A1
SCHEMBL3193406 0.76 ALDH1A1 (0.39) GRIN2DGRIN2AGRIN2CHPRT1ALDH1A1
SCHEMBL28569273 0.75 HPRT1 (0.47) HPRT1ALDH1A1HSD17B10HPGDHIF1A
SCHEMBL7638577 0.75 HPRT1 (0.47) HPRT1ALDH1A1HSD17B10HPGDHIF1A
SCHEMBL598133 0.75 HPRT1 (0.47) HPRT1ALDH1A1HSD17B10HPGDHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed
US-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2011-07-21 US disclosed
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-06-24 US disclosed
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD (JP) 2007-06-21 US disclosed
EP-1775335-A2 Organic lectroluminescent element IDEMITSU KOSAN COMPANY LIMITED (JP) 2007-04-18 EP disclosed
US-20060189828-A1 Organic electrolumescence device IDEMITSU KOSAN CO., LTD. (JP) 2006-08-24 US disclosed
EP-1666561-A1 Organic electroluminescent element IDEMITSU KOSAN COMPANY LIMITED (JP) 2006-06-07 EP disclosed
US-6951693-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2005-10-04 US disclosed
US-20050038296-A1 Organic electrolumescence device IDEMITSU KOSAN CO., LTD. (JP) 2005-02-17 US disclosed
US-6743948-B1 HAVING DUAL CHRYSENE RINGS LINKED BY AMINO FUNCTIONALITY HAVING FURTHER ARYL AND ALKENYL SUBSTITUTION; EFFICIENCY; HEAT RESISTANCE; DURABILITY IDEMITSU KOSAN CO., LTD. (JP) 2004-06-01 US disclosed
US-20030072966-A1 Organic electrolumescence device IDEMITSU KOSAN CO., LTD. (JP) 2003-04-17 US disclosed
EP-1061112-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-12-20 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 (7 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-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 GRIN2D 1539/4885GRIN2A 2339/4885GRIN2C 2055/4885
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 GRIN2D 1539/4885GRIN2A 2339/4885GRIN2C 2055/4885
US-20030072966-A1 Organic electrolumescence device ABCC1, CCND1, JUND GRIN2D 206/4885GRIN2A 2386/4885GRIN2C 2602/4885
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE ARL1, RIF1, EML4 GRIN2D 2590/4885GRIN2A 2546/4885GRIN2C 2547/4885
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 GRIN2D 1539/4885GRIN2A 2339/4885GRIN2C 2055/4885
US-20050038296-A1 Organic electrolumescence device CHRM1, SCO2, CHRM4 GRIN2D 1495/4885GRIN2A 1867/4885GRIN2C 1739/4885
US-20060189828-A1 Organic electrolumescence device SCO2, CHRM1, CHRM4 GRIN2D 1539/4885GRIN2A 2339/4885GRIN2C 2055/4885

“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.