SCHEMBL1102533

SCHEMBL1102533

c1cncc(-c2cc(-c3c4ccccc4c(-c4cc(-c5cccnc5)nc(-c5cccnc5)c4)c4cnccc34)cc(-c3cccnc3)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.63
CYP11B1 P15538 2/20 0.47
DHODH Q02127 1/20 0.46
CYP2A6 P11509 3/20 0.45
CYP2C9 P11712 2/20 0.44
MAPT P10636 2/20 0.43
GPR84 Q9NQS5 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
CYP17A1 P05093 1/20 0.42
CYP11B2 P19099 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
HIPK2 Q9H2X6 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
F2 P00734 1/20 0.41
HPGD P15428 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
SCHEMBL1102522 0.90 CYP19A1 (0.53) CYP19A1CYP11B1DHODHMAPTKDM4E
SCHEMBL1102698 0.85 CYP2A6 (0.54) CYP19A1CYP11B1CYP2A6CYP2C9MAPT
SCHEMBL1102914 0.84 CYP19A1 (0.58) CYP19A1CYP11B1DHODHCYP2A6CYP2C9
SCHEMBL20010233 0.84 CYP19A1 (0.62) CYP19A1CYP11B1DHODHCYP2C9MAPT
SCHEMBL20010227 0.82 CYP19A1 (0.65) CYP19A1CYP11B1DHODHCYP2C9MAPT
SCHEMBL20010040 0.81 CYP19A1 (0.63) CYP19A1CYP11B1DHODHCYP2C9MAPT
SCHEMBL23784970 0.81 CYP19A1 (0.67) CYP19A1CYP11B1DHODHCYP2A6CYP2C9
SCHEMBL1102852 0.80 TNF (0.52) CYP19A1CYP11B1DHODHCYP2C9MAPT
SCHEMBL23784969 0.80 CYP19A1 (0.69) CYP19A1CYP11B1DHODHCYP2A6CYP2C9
SCHEMBL17014077 0.79 CYP19A1 (0.64) CYP19A1CYP11B1DHODHCYP2C9MAPT

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 CYP19A1 1424/4885CYP11B1 836/4885DHODH 1013/4885

“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.