SCHEMBL1102986

SCHEMBL1102986

c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccncc23)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPT P10636 5/20 0.49
HPGD P15428 5/20 0.49
TP53 P04637 3/20 0.49
MAPK1 P28482 3/20 0.49
NPC1 O15118 3/20 0.49
HSD17B10 Q99714 3/20 0.49
TNF P01375 1/20 0.46
TGFBR1 P36897 1/20 0.46
IKBKE Q14164 1/20 0.45
TBK1 Q9UHD2 1/20 0.45
HTR2C P28335 1/20 0.43
DCTPP1 Q9H773 1/20 0.42
LMNA P02545 3/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
TDP1 Q9NUW8 2/20 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
SCHEMBL1103691 0.89 TNF (0.56) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL17227621 0.89 KDM4E (0.58) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL1102541 0.89 TNF (0.56) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL1102907 0.88 TNF (0.54) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL1102564 0.86 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL1102838 0.85 NPC1 (0.43) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL1102802 0.84 TNF (0.51) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL1103680 0.84 IKBKE (0.47) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL13512475 0.84 IKBKE (0.42) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL12887287 0.83 MAPT (0.39) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD

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 3 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-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 3367/4885SMN1; SMN2 4091/4885ALDH1A1 1015/4885

“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.