SCHEMBL13615692

SCHEMBL13615692

CC(C)c1c2ccccc2cc2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 6/20 0.44
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
NTSR1 P30989 1/20 0.40
RAD52 P43351 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
PAX8 Q06710 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SYK P43405 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
CCR1 P32246 1/20 0.39

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
SCHEMBL13408659 0.79 CCR1 (0.50) CYP3A4ALDH1A1MAPTKDM4ELMNA
SCHEMBL40806 0.79 ALDH1A1 (0.44) CYP3A4ALDH1A1KDM4EKMT2AGAA
SCHEMBL25899914 0.78 POLB (0.37) CYP3A4ALDH1A1MAPTKDM4ELMNA
SCHEMBL24621855 0.77 CYP3A4 (0.50) CYP3A4ALDH1A1MAPTKDM4ELMNA
SCHEMBL17618313 0.75 MAPT (0.54) CYP3A4ALDH1A1MAPTKDM4ELMNA
SCHEMBL1102408 0.73 KDM4E (0.50) ALDH1A1MAPTKDM4ELMNAPOLB
SCHEMBL1102406 0.72 KDM4E (0.49) ALDH1A1KDM4ELMNAPOLBRAD52
SCHEMBL13338344 0.72 KDM4E (0.41) CYP3A4ALDH1A1KDM4ELMNAPOLB
SCHEMBL15423518 0.71 MAPT (0.54) CYP3A4ALDH1A1MAPTKDM4ELMNA
SCHEMBL12343890 0.71 MET (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090273278-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-11-05 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-20090273278-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 CYP3A4 549/4885ALDH1A1 92/4885MAPT 1948/4885

“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.