SCHEMBL6723957

SCHEMBL6723957

CN(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CHKA P35790 4/20 0.50
TAAR1 Q96RJ0 2/20 0.50
NR3C2 P08235 1/20 0.45
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP3 P08254 1/20 0.43
BCL2L1 Q07817 1/20 0.43
GSK3B P49841 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PDE5A O76074 1/20 0.41
MEN1 O00255 1/20 0.41
S1PR4 O95977 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL12249883 1.00 ALDH1A1 (0.50) ALDH1A1CHKATAAR1NR3C2MAPK1
SCHEMBL6723783 1.00 ALDH1A1 (0.50) ALDH1A1CHKATAAR1NR3C2MAPK1
SCHEMBL6723671 1.00 ALDH1A1 (0.50) ALDH1A1CHKATAAR1NR3C2MAPK1
SCHEMBL2742925 0.97 CHKA (0.53) ALDH1A1CHKATAAR1NR3C2MAPK1
SCHEMBL6723658 0.97 CHKA (0.53) ALDH1A1CHKATAAR1NR3C2MAPK1
SCHEMBL3226290 0.94 CHKA (0.55) ALDH1A1CHKATAAR1NR3C2MAPK1
SCHEMBL13152124 0.94 CHKA (0.55) ALDH1A1CHKATAAR1NR3C2MAPK1
SCHEMBL12048126 0.93 CHKA (0.46) ALDH1A1CHKATAAR1NR3C2MAPK1
SCHEMBL12048616 0.93 CHKA (0.46) ALDH1A1CHKATAAR1NR3C2MAPK1
SCHEMBL19735312 0.93 CHKA (0.46) ALDH1A1CHKATAAR1NR3C2MAPK1

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
WO-2022260096-A1 PHOTOELECTRIC CONVERSION ELEMENT MATERIAL FOR IMAGING ELEMENT AND PHOTOELECTRIC CONVERSION ELEMENT FOR IMAGING ELEMENT 東ソー株式会社 2022-12-15 WO disclosed
US-9735371-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2017-08-15 US disclosed
US-9735371-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2017-08-15 US disclosed
US-20170179399-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-06-22 US disclosed
US-20170179399-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-06-22 US disclosed
EP-2699641-B1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-05-17 EP disclosed
US-20140231715-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2014-08-21 US disclosed
US-20140231715-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2014-08-21 US disclosed
WO-2012143079-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-10-26 WO disclosed
US-8178216-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-15 US disclosed
US-8178216-B2 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-15 US disclosed
US-20090072718-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-03-19 US disclosed
US-20090072718-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-03-19 US 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-20090072718-A1 Quinoxaline derivative, and light-emitting element, light-emitting device, and electronic device including quinoxaline derivative CRY1, GRK1, CRY2 ALDH1A1 64/4885CHKA 4185/4885TAAR1 551/4885
US-20170179399-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP2C19, CYP1B1, CYP2C9 ALDH1A1 64/4885CHKA 4079/4885TAAR1 1241/4885

“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.