SCHEMBL1103584

SCHEMBL1103584

Cc1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3c2cnc2ccccc23)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
DHFR P00374 1/20 0.36
FLT3 P36888 1/20 0.35
MET P08581 1/20 0.35
KDM4E B2RXH2 3/20 0.35
GPR3 P46089 1/20 0.35
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
PDPK1 O15530 1/20 0.34
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
TOP2A P11388 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 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
SCHEMBL1103588 0.89 DHFR (0.36) NPC1CA12CA1CA2CA9
SCHEMBL1103453 0.88 MET (0.42) NPC1CA12CA9DHFRMET
SCHEMBL1103265 0.87 NPC1 (0.50) NPC1FLT3KDM4EGPR3PDPK1
SCHEMBL1103583 0.87 ALDH1A1 (0.42) NPC1DHFRFLT3KDM4EGPR3
SCHEMBL1103586 0.86 FLT3 (0.41) NPC1DHFRFLT3METKDM4E
SCHEMBL1103466 0.86 KDM4E (0.41) NPC1CA12CA1CA2CA9
SCHEMBL1103577 0.85 SSTR2 (0.39) NPC1CA12CA9DHFRFLT3
SCHEMBL1103575 0.85 MET (0.46) NPC1CA12CA9DHFRMET
SCHEMBL1103524 0.85 NPC1 (0.47) NPC1FLT3METKDM4EGPR3
SCHEMBL1103571 0.85 MAPT (0.40) NPC1CA12CA1CA2CA9

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 NPC1 1582/4885CA12 2242/4885CA1 3641/4885

“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.