SCHEMBL1102537

SCHEMBL1102537

CC(C)c1cccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccncc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.46
KDR P35968 3/20 0.43
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 1/20 0.36
IDO1 P14902 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC22A12 Q96S37 1/20 0.35

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
SCHEMBL1102510 0.90 KDR (0.43) TNFKDRCYP11B1CYP11B2TLR8
SCHEMBL1102469 0.88 KDR (0.49) TNFKDRKDM4EALDH1A1MAPT
SCHEMBL1102468 0.88 CYP17A1 (0.46) TNFKDRRAB9AMAPK14CYP11B1
SCHEMBL1102470 0.87 IDO1 (0.40) TNFKDRKDM4EIDO1
SCHEMBL1102462 0.86 KDR (0.48) TNFKDRKDM4EALDH1A1MAPT
SCHEMBL1102796 0.84 TNF (0.56) TNFKDM4EALDH1A1MAPTHPGD
SCHEMBL1102801 0.84 TNF (0.56) TNFKDM4EALDH1A1MAPTHPGD
SCHEMBL1102956 0.84 TNF (0.56) TNFKDM4EALDH1A1MAPTHPGD
SCHEMBL1102594 0.84 KDR (0.39) TNFKDRKDM4EALDH1A1MAPT
SCHEMBL1102834 0.84 TNF (0.49) TNFKDRKDM4EALDH1A1MAPT

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 2 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

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 1059/4885KDM4E 3367/4885

“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.