SCHEMBL1102469

SCHEMBL1102469

CC(C)c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccncc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.49
TNF P01375 3/20 0.44
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
DHODH Q02127 1/20 0.36
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL1102462 0.99 KDR (0.48) KDRTNFCYP11B1CYP11B2KDM4E
SCHEMBL1102510 0.89 KDR (0.43) KDRTNFCYP11B1CYP11B2TLR8
SCHEMBL1102908 0.88 TNF (0.53) KDRTNFCYP11B1CYP11B2KDM4E
SCHEMBL1102537 0.88 TNF (0.46) KDRTNFCYP11B1CYP11B2KDM4E
SCHEMBL1102681 0.86 TNF (0.59) TNFCYP11B1KDM4EALDH1A1RAB9A
SCHEMBL1102618 0.86 TNF (0.59) TNFCYP11B1KDM4EALDH1A1RAB9A
SCHEMBL1102779 0.86 TNF (0.59) TNFKDM4EALDH1A1RAB9AMAPT
SCHEMBL1102976 0.85 TNF (0.48) KDRTNFKDM4EALDH1A1RAB9A
SCHEMBL1102666 0.85 TNF (0.58) TNFCYP11B1KDM4EALDH1A1RAB9A
SCHEMBL1102687 0.85 TNF (0.58) TNFCYP11B1KDM4EALDH1A1RAB9A

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 KDR 1059/4885TNF 3803/4885CYP11B1 836/4885

“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.