SCHEMBL1102991

SCHEMBL1102991

c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cccnc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 5/20 0.42
HSD17B10 Q99714 3/20 0.42
ENPP1 P22413 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
TP53 P04637 3/20 0.42
TSHR P16473 2/20 0.42
NFKB1 P19838 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 2/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ATM Q13315 1/20 0.42
TNF P01375 1/20 0.41
CCR1 P32246 3/20 0.41
CCR8 P51685 3/20 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
SCHEMBL1103117 0.97 KDM4E (0.40) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL1103088 0.97 KDM4E (0.40) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL1103119 0.94 ESR1 (0.40) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL1103095 0.94 KDM4E (0.40) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL1103045 0.94 KDM4E (0.40) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL1103102 0.93 KDM4E (0.40) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL1103106 0.91 ESR1 (0.40) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL1102981 0.91 TNF (0.46) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL1103197 0.91 TNF (0.43) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL1103187 0.91 TNF (0.46) KDM4EMAPTALDH1A1HPGDHSD17B10

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 4 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

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 3367/4885MAPT 3162/4885ALDH1A1 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.