SCHEMBL1102914

SCHEMBL1102914

c1cncc(-c2cc(-c3c4ccccc4c(-c4cc(-c5cccnc5)nc(-c5cccnc5)c4)c4ncccc34)cc(-c3cccnc3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.58
CYP2A6 P11509 5/20 0.49
CYP11B1 P15538 1/20 0.44
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 2/20 0.43
DHODH Q02127 1/20 0.43
LMNA P02545 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
CYP2C9 P11712 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
PTK2 Q05397 1/20 0.41
PIM1 P11309 3/20 0.41
PIM2 Q9P1W9 3/20 0.41
PIM3 Q86V86 2/20 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
SCHEMBL1102817 0.88 TOP1 (0.51) CYP19A1NPC1RAB9AL3MBTL1PDE4A
SCHEMBL1102794 0.86 CYP2A6 (0.50) CYP2A6CYP11B1KDM4ENPC1RAB9A
SCHEMBL1102533 0.84 CYP19A1 (0.63) CYP19A1CYP2A6CYP11B1KDM4ENPC1
SCHEMBL20010233 0.80 CYP19A1 (0.62) CYP19A1CYP11B1KDM4ENPC1RAB9A
SCHEMBL20010227 0.79 CYP19A1 (0.65) CYP19A1CYP11B1KDM4ENPC1RAB9A
SCHEMBL1103333 0.79 CYP19A1 (0.52) CYP19A1CYP2A6CYP11B1KDM4ENPC1
SCHEMBL20009948 0.78 CYP19A1 (0.52) CYP19A1CYP2A6CYP11B1NPC1RAB9A
SCHEMBL20010040 0.78 CYP19A1 (0.63) CYP19A1CYP11B1KDM4ENPC1RAB9A
SCHEMBL20009956 0.77 CYP19A1 (0.55) CYP19A1CYP2A6KDM4ENPC1RAB9A
SCHEMBL9973738 0.77 CYP2A6 (0.58) CYP19A1CYP2A6CYP11B1NPC1RAB9A

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 5 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
EP-2147962-A1 Azaanthracene-derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-01-27 EP 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 1424/4885CYP2A6 1911/4885CYP11B1 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.