SCHEMBL1105441

SCHEMBL1105441

Cc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccncc34)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
CYP17A1 P05093 1/20 0.46
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK9 P45984 5/20 0.41
MAPK10 P53779 5/20 0.41
MAPK14 Q16539 1/20 0.41
IKBKB O14920 1/20 0.40
TDO2 P48775 2/20 0.40
MAPK8 P45983 3/20 0.40

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
SCHEMBL1102769 0.94 CYP11B1 (0.46) CYP2A6TDP1CYP11B1CYP11B2CYP17A1
SCHEMBL1104946 0.93 CYP11B1 (0.45) CYP2A6TDP1CYP11B1CYP11B2CYP17A1
SCHEMBL16298710 0.93 CYP11B1 (0.42) CYP2A6TDP1CYP11B1CYP11B2CYP17A1
SCHEMBL1103615 0.93 CYP17A1 (0.45) CYP2A6TDP1CYP11B1CYP11B2CYP17A1
SCHEMBL1102732 0.92 MAPK14 (0.50) CYP2A6TDP1CYP11B1CYP11B2CYP17A1
SCHEMBL1102481 0.91 CYP11B1 (0.54) CYP11B1CYP11B2CYP17A1CYP19A1MAPK9
SCHEMBL1102635 0.91 CYP11B1 (0.54) CYP11B1CYP11B2CYP17A1CYP19A1MAPK9
SCHEMBL1102723 0.91 CYP11B1 (0.41) CYP2A6TDP1CYP11B1CYP11B2CYP17A1
SCHEMBL1102935 0.90 CYP11B1 (0.45) CYP11B1CYP11B2CYP17A1CYP19A1ALDH1A1
SCHEMBL1105444 0.90 TNF (0.43) CYP2A6TDP1CYP11B1CYP11B2CYP17A1

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 CYP2A6 1911/4885TDP1 4231/4885CYP11B1 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.