SCHEMBL1103577

SCHEMBL1103577

Cc1cc(C)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3c2cnc2ccccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR2 P30874 1/20 0.39
FLT3 P36888 1/20 0.38
CYP1A2 P05177 1/20 0.38
DHFR P00374 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GPR3 P46089 1/20 0.36
PDPK1 O15530 1/20 0.36
HTT P42858 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TOP2A P11388 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL1103583 0.91 ALDH1A1 (0.42) FLT3CYP1A2DHFRKDM4EGPR3
SCHEMBL1103586 0.91 FLT3 (0.41) FLT3CYP1A2DHFRKDM4EGPR3
SCHEMBL1103588 0.89 DHFR (0.36) FLT3CYP1A2DHFRKDM4EGPR3
SCHEMBL1103262 0.87 SSTR2 (0.42) SSTR2CYP1A2KDM4EGPR3PDPK1
SCHEMBL1103561 0.86 MAPT (0.40) KDM4EGPR3PDPK1HTTALDH1A1
SCHEMBL1103466 0.85 KDM4E (0.41) CYP1A2DHFRKDM4EGPR3PDPK1
SCHEMBL1103584 0.85 NPC1 (0.45) FLT3CYP1A2DHFRKDM4EGPR3
SCHEMBL1103247 0.85 KDM4E (0.46) CYP1A2DHFRKDM4EGPR3PDPK1
SCHEMBL1103568 0.85 MAPT (0.38) KDM4EGPR3PDPK1HTTALDH1A1
SCHEMBL1103453 0.85 MET (0.42) CYP1A2DHFRKDM4EGPR3PDPK1

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 SSTR2 4174/4885FLT3 4063/4885CYP1A2 1437/4885

“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.