SCHEMBL1103091

SCHEMBL1103091

c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ncccc67)cc5)cc4)c4cccnc34)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.43
HTR5A P47898 1/20 0.43
CYP17A1 P05093 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 3/20 0.41
CCR1 P32246 3/20 0.41
CCR8 P51685 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP3A4 P08684 2/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
GMNN O75496 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MMP2 P08253 1/20 0.41
CYP2D6 P10635 1/20 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
SCHEMBL1103153 0.98 CYP17A1 (0.45) HTR2BHTR5ACYP17A1CYP19A1CYP11B1
SCHEMBL1103082 0.98 CYP17A1 (0.44) HTR2BHTR5ACYP17A1CYP19A1CYP11B1
SCHEMBL1103129 0.97 CYP17A1 (0.44) HTR2BHTR5ACYP17A1CYP19A1CYP11B1
SCHEMBL1103103 0.97 CYP17A1 (0.44) HTR2BHTR5ACYP17A1CYP19A1CYP11B1
SCHEMBL1103035 0.97 CYP17A1 (0.46) HTR2BHTR5ACYP17A1CYP19A1CYP11B1
SCHEMBL1103074 0.97 CYP17A1 (0.45) HTR2BHTR5ACYP17A1CYP19A1CYP11B1
SCHEMBL1102860 0.97 CYP17A1 (0.45) HTR2BHTR5ACYP17A1CYP19A1CYP11B1
SCHEMBL1103114 0.95 CYP17A1 (0.45) HTR2BHTR5ACYP17A1CYP19A1CYP11B1
SCHEMBL1102959 0.95 CYP17A1 (0.45) HTR2BHTR5ACYP17A1CYP19A1CYP11B1
SCHEMBL1103121 0.95 CYP17A1 (0.45) HTR2BHTR5ACYP17A1CYP19A1CYP11B1

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 HTR2B 3260/4885HTR5A 1098/4885CYP17A1 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.