SCHEMBL13487113

SCHEMBL13487113

CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4cnc5ccccc5n4)c4ccc(-c5ccccc5)cc34)cccc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.37
RAB9A P51151 10/20 0.37
JAK2 O60674 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 1/20 0.34
STAT1 P42224 1/20 0.34
DHODH Q02127 2/20 0.34
BCHE P06276 1/20 0.34
JAK3 P52333 2/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33

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
SCHEMBL13487371 0.94 NPC1 (0.37) NPC1RAB9AJAK2SMN1; SMN2TP53
SCHEMBL13487287 0.92 MET (0.36) NPC1RAB9AJAK2SMN1; SMN2TP53
SCHEMBL13487179 0.91 NPC1 (0.36) NPC1RAB9AJAK2SMN1; SMN2TP53
SCHEMBL13487905 0.89 NPC1 (0.38) NPC1RAB9AJAK2SMN1; SMN2TP53
SCHEMBL13487115 0.89 ACACA (0.42) SMN1; SMN2DHODHKMT2AMEN1KDM4E
SCHEMBL13487519 0.88 NPC1 (0.37) NPC1RAB9AJAK2SMN1; SMN2TP53
SCHEMBL13487060 0.88 MEN1 (0.36) NPC1RAB9AJAK2SMN1; SMN2TP53
SCHEMBL13487105 0.87 NPC1 (0.36) NPC1RAB9ASMN1; SMN2TP53DHODH
SCHEMBL13487122 0.86 ESR1 (0.36) SMN1; SMN2DHODHMAPT
SCHEMBL13488135 0.85 NPC1 (0.40) NPC1RAB9AJAK2SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 US disclosed
US-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 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-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 NPC1 1139/4885RAB9A 3244/4885JAK2 4147/4885

“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.