SCHEMBL1102558

SCHEMBL1102558

c1ccc2c(-c3ccc4c5ccccc5c5ccccc5c4c3)c3cnccc3c(-c3ccc4c5ccccc5c5ccccc5c4c3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
HTT P42858 2/20 0.43
POLB P06746 2/20 0.43
RAD52 P43351 1/20 0.43
PARP1 P09874 3/20 0.41
NCOA3 Q9Y6Q9 1/20 0.40
TDO2 P48775 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ACHE P22303 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
IKBKB O14920 1/20 0.39
AURKA O14965 1/20 0.39
CHUK O15111 1/20 0.39
PIM1 P11309 1/20 0.39
TOP1 P11387 1/20 0.39
GABRA1 P14867 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL1103633 0.89 MAPK10 (0.42) KDM4EHTTPOLBRAD52PARP1
SCHEMBL1102677 0.82 TNF (0.47) KDM4EHTTPOLBRAD52PARP1
SCHEMBL1102900 0.82 TNF (0.47) KDM4EHTTPOLBRAD52PARP1
SCHEMBL1102798 0.82 TNF (0.47) KDM4EHTTPOLBRAD52PARP1
SCHEMBL1102806 0.82 TNF (0.47) KDM4EHTTPOLBRAD52PARP1
SCHEMBL1103619 0.82 MAPK10 (0.45) CYP11B1MAPK10TNFCSNK2A2CSNK2B
SCHEMBL1102635 0.82 CYP11B1 (0.54) KDM4EHTTPOLBRAD52TDO2
SCHEMBL1102639 0.82 TNF (0.45) KDM4EHTTPOLBRAD52TDO2
SCHEMBL1102481 0.82 CYP11B1 (0.54) KDM4EHTTPOLBRAD52TDO2
SCHEMBL1103635 0.82 CYP11B2 (0.54) TDO2CYP11B1MAPK10CYP17A1CYP19A1

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 KDM4E 3367/4885HTT 4390/4885POLB 2825/4885

“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.