SCHEMBL1102834

SCHEMBL1102834

Cc1cccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccncc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.49
KDR P35968 3/20 0.46
MAPK14 Q16539 3/20 0.42
CSNK1D P48730 2/20 0.42
CSNK1E P49674 2/20 0.42
ENPP1 P22413 1/20 0.41
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RPS6KA3 P51812 1/20 0.40
DHFR P00374 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP11B1 P15538 1/20 0.38
MAPK11 Q15759 1/20 0.38
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL1102812 0.91 TNF (0.47) TNFKDRMAPK14RAB9AKDM4E
SCHEMBL1102523 0.89 RPS6KA3 (0.43) TNFKDRMAPK14ENPP1RAB9A
SCHEMBL1105444 0.89 TNF (0.43) TNFKDRMAPK14RAB9AKDM4E
SCHEMBL1102801 0.88 TNF (0.56) TNFMAPK14RAB9AKDM4EALDH1A1
SCHEMBL1102796 0.88 TNF (0.56) TNFMAPK14RAB9AKDM4EALDH1A1
SCHEMBL1102956 0.88 TNF (0.56) TNFMAPK14RAB9AKDM4EALDH1A1
SCHEMBL1102976 0.86 TNF (0.48) TNFKDRMAPK14ENPP1RAB9A
SCHEMBL1102791 0.86 TNF (0.55) TNFMAPK14RAB9AKDM4EALDH1A1
SCHEMBL1103614 0.86 KDR (0.45) TNFKDRMAPK14KDM4EALDH1A1
SCHEMBL1102617 0.86 RPS6KA3 (0.42) TNFMAPK14RAB9AKDM4EALDH1A1

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-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
EP-2147962-A1 Azaanthracene-derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-01-27 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 (1 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-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 TNF 3803/4885KDR 1059/4885MAPK14 3348/4885

“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.