SCHEMBL4121667

SCHEMBL4121667

CN(C)c1ncccc1-c1cccc(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
NPC1 O15118 1/20 0.36
LRRK2 Q5S007 2/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KCNH2 Q12809 2/20 0.34
HSD11B1 P28845 1/20 0.34
DYRK1A Q13627 1/20 0.33

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
SCHEMBL4121669 0.77 CCNE2 (0.36) KDM4EALDH1A1CCNE2CCNE1CDK2
SCHEMBL6270187 0.75 CCNE2 (0.41) KDM4ECCNE2CCNE1CDK2NPC1
SCHEMBL7877997 0.75 TDP1 (0.44) KDM4ECCNE2CCNE1CDK2NPC1
SCHEMBL4115203 0.72 BTK (0.45) NPC1
SCHEMBL3038641 0.72 CES2 (0.46) CCNE2CCNE1CDK2NPC1HSD11B1
SCHEMBL30103582 0.71 CCNE2 (0.37) KDM4ECCNE2CCNE1CDK2NPC1
SCHEMBL29985757 0.70 CNR2 (0.36) KDM4ECCNE2CCNE1CDK2NPC1
SCHEMBL5914464 0.69 KDM4E (0.46) KDM4EALDH1A1POLBCYP1A2CYP3A4
SCHEMBL11356632 0.69 KDM4E (0.54) KDM4EALDH1A1POLBNPC1HSD17B10
SCHEMBL14715801 0.69 KDM4E (0.47) KDM4EALDH1A1POLBCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111989-A1 ORGANIC LIGHT EMITTING MATERIALS WITH ANIONIC LIGAND THOMPSON MARK E 2009-04-30 US disclosed
US-7482451-B2 Organic light emitting materials with anionic ligand THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-01-27 US disclosed
EP-1539773-A2 ORGANIC LIGHT EMITTING MATERIALS WITH ANIONIC LIGAND UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2005-06-15 EP disclosed
US-20040102632-A1 Organic light emitting materials with anionic ligand UNIVERSITY OF SOUTHERN CALIFORNIA, THE 2004-05-27 US disclosed
WO-2004017043-A2 ORGANIC LIGHT EMITTING MATERIALS WITH ANIONIC LIGAND THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2004-02-26 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-20090111989-A1 ORGANIC LIGHT EMITTING MATERIALS WITH ANIONIC LIGAND MAP1LC3C, ORC3, EML4 KDM4E 3502/4885ALDH1A1 1050/4885POLB 4092/4885
US-20040102632-A1 Organic light emitting materials with anionic ligand MAP1LC3C, ORC3, EML4 KDM4E 3502/4885ALDH1A1 1050/4885POLB 4092/4885

“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.