SCHEMBL1102850

SCHEMBL1102850

c1ccc2c(c1)Oc1ccccc1N2c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccncc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
MAPK9 P45984 7/20 0.37
MAPK10 P53779 7/20 0.37
TDO2 P48775 2/20 0.36
MAPK8 P45983 3/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTR2B P41595 1/20 0.34
HTR5A P47898 1/20 0.34
GRM1 Q13255 1/20 0.34
CCNC P24863 3/20 0.33
CDK8 P49336 3/20 0.33
PDE9A O76083 1/20 0.33

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
SCHEMBL1102891 0.86 ALOX5 (0.36) TDO2SMN1; SMN2NPC1RAB9ACDK8
SCHEMBL1102955 0.85 CYP17A1 (0.39) CYP11B1CYP11B2CYP17A1CYP19A1MAPK9
SCHEMBL1102785 0.85 CYP11B1 (0.39) CYP11B1CYP11B2CYP17A1CYP19A1MAPK9
SCHEMBL1102847 0.84 CYP17A1 (0.36) CYP11B1CYP11B2CYP17A1CYP19A1MAPK9
SCHEMBL1102546 0.84 MAOA (0.39) CYP11B1CYP11B2TDO2MAPTSMN1; SMN2
SCHEMBL1102764 0.82 CYP17A1 (0.36) CYP11B1CYP11B2CYP17A1CYP19A1MAPK9
SCHEMBL1103182 0.82 AKT1 (0.36) CYP11B1CYP11B2CYP17A1CYP19A1MAPK9
SCHEMBL1102713 0.81 TNF (0.39) CYP11B2MAPTSMN1; SMN2NPSR1NPC1
SCHEMBL1103552 0.79 MET (0.36) MAPTSMN1; SMN2NPSR1HTR2BHTR5A
SCHEMBL1102481 0.78 CYP11B1 (0.54) CYP11B1CYP11B2CYP17A1CYP19A1MAPK9

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 CYP11B1 836/4885CYP11B2 652/4885CYP17A1 2034/4885

“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.