SCHEMBL13615778

SCHEMBL13615778

Cc1cccc(N(c2cccc(C)c2)c2ccc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4cc(N(c5cccc(C)c5)c5cccc(C)c5)ccc4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
ALDH1A1 P00352 5/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
ACHE P22303 2/20 0.34
PAX8 Q06710 2/20 0.34
JAK2 O60674 1/20 0.34
HTT P42858 1/20 0.34
THRB P10828 1/20 0.34
PKM P14618 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
SCHEMBL13615699 0.94 HSD17B1 (0.38) HSD17B1HSD17B2ALDH1A1CYP1A2MAPT
SCHEMBL9963849 0.91 HSD17B1 (0.41) HSD17B1HSD17B2ALDH1A1MAPTACHE
SCHEMBL9963836 0.91 HSD17B1 (0.41) HSD17B1HSD17B2ALDH1A1MAPTACHE
SCHEMBL13615644 0.91 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL12250097 0.91 CNR2 (0.39) HSD17B1HSD17B2ALDH1A1CYP3A4CYP2C9
SCHEMBL13615643 0.90 ACHE (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL14099861 0.90 ACHE (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL15762783 0.90 ACHE (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL13667037 0.89 KDM4E (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL13886621 0.89 ACHE (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E

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-20090273277-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-11-05 US disclosed
US-20090273277-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-20090273277-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, ORMDL3, CHRM2 HSD17B1 2533/4885HSD17B2 2720/4885ALDH1A1 818/4885

“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.