SCHEMBL13587710

SCHEMBL13587710

c1ccc(-c2ccc3cc4ccccc4cc3n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
AR P10275 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TP53 P04637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47

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
SCHEMBL21215615 0.92 NPC1 (0.53) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL6237278 0.91 RAB9A (0.52) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL21215598 0.91 MEN1 (0.51) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL21215922 0.90 CYP1A2 (0.43) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL21215927 0.90 RAB9A (0.44) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL21215919 0.89 MEN1 (0.50) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL21215594 0.89 MEN1 (0.54) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL21215597 0.89 MEN1 (0.54) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL21215776 0.89 PARP1 (0.45) RAB9ANPC1ARCYP3A4CYP1A2
SCHEMBL21215817 0.89 NPC1 (0.47) RAB9ANPC1ARCYP3A4CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090295281-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-12-03 US disclosed
US-20090295281-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-12-03 US disclosed
EP-2098532-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-09-09 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-20090295281-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same AOX1, LEF1, ODC1 RAB9A 2408/4885NPC1 1501/4885AR 4288/4885

“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.