SCHEMBL5006773

SCHEMBL5006773

C#Cc1ccc(-c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP1A2 P05177 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
JAK2 O60674 1/20 0.33
HTT P42858 1/20 0.33
PAX8 Q06710 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
SCHEMBL6851070 0.97 HSD17B1 (0.39) HSD17B1HSD17B2ALDH1A1TDP1LTB4R2
SCHEMBL6279069 0.87 ALDH1A1 (0.38) ALDH1A1MAPTTDP1CYP1A2KDM4E
SCHEMBL1810943 0.87 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTTDP1
SCHEMBL148955 0.87 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTTDP1
SCHEMBL5840586 0.87 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTTDP1
SCHEMBL10065576 0.87 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTTDP1
SCHEMBL12593267 0.87 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTTDP1
SCHEMBL22356719 0.87 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTTDP1
SCHEMBL21922635 0.87 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTTDP1
SCHEMBL8581884 0.87 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTTDP1

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-8344142-B2 perylenetetracarboxylic diimide core having side chains (groups or mesogens) attached to the core; to provide charge-transport materials having various volatilities, solubilities, crystallinity, and charge transport ability; organic light emitting diode; photovoltaic cells, light-emitting diodes GEORGIA TECH RESEARCH CORPORATION (US) 2013-01-01 US disclosed
US-20080223444-A1 Perylene Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof GEORGIA TECH RESEARCH CORPORATION 2008-09-18 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-20080223444-A1 Perylene Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof SLC43A1, SLC3A2, SLC16A3 HSD17B1 4275/4885HSD17B2 3736/4885ALDH1A1 1563/4885

“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.