SCHEMBL3245963

SCHEMBL3245963

C1=CC(c2ccc3ccccc3n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CYP3A4 P08684 4/20 0.44
TP53 P04637 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 3/20 0.38
PKM P14618 2/20 0.38
HPGD P15428 2/20 0.38
HCRTR1 O43613 1/20 0.38
CYP1A2 P05177 3/20 0.37
NCF1 P14598 3/20 0.37
NOS2 P35228 1/20 0.37
BACE1 P56817 1/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL9302323 0.90 NPC1 (0.41) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL9304066 0.75 ALDH1A1 (0.42) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL29390450 0.74 NPC1 (0.52) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL902873 0.74 NPC1 (0.52) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL20495402 0.71 ALDH1A1 (0.39) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL3525605 0.71 NPC1 (0.49) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL21397784 0.70 KMT2A (0.53) ALDH1A1MEN1KMT2ACYP3A4TP53
SCHEMBL12533920 0.70 ALDH1A1 (0.52) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL12533917 0.70 ALDH1A1 (0.52) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL12533914 0.70 ALDH1A1 (0.52) NPC1RAB9AALDH1A1MEN1KMT2A

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
CN-101607973-B Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC KR 2013-06-12 CN disclosed
EP-2062958-B1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC (KR) 2010-07-28 EP disclosed
CN-101607973-A New organic electroluminescent compounds and use the el light emitting device of this compound GRACEL DISPLAY INC (KR) 2009-12-23 CN disclosed
US-20090159130-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-06-25 US disclosed
EP-2062958-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-05-27 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-20090159130-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same AOX1, LEF1, ODC1 NPC1 1452/4885RAB9A 2282/4885ALDH1A1 23/4885

“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.