SCHEMBL660380

SCHEMBL660380

CCCCc1c(Br)cc2ccc3cccc4ccc1c2c34

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 4/20 0.43
HPGD P15428 4/20 0.43
CYP3A4 P08684 3/20 0.43
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 4/20 0.41
ERBB2 P04626 1/20 0.41
FYN P06241 1/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
AHR P35869 1/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NCEH1 Q6PIU2 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
CYP1A1 P04798 2/20 0.33
CYP1B1 Q16678 2/20 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
SCHEMBL11692367 0.83 HPGD (0.44) ALDH1A1HSD17B10HPGDCYP3A4TSHR
SCHEMBL29227265 0.82 HPGD (0.45) ALDH1A1HSD17B10HPGDCYP3A4TSHR
SCHEMBL11131281 0.80 HSD17B10 (0.47) ALDH1A1HSD17B10HPGDCYP3A4TSHR
SCHEMBL27951348 0.80 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDCYP3A4TSHR
SCHEMBL1024836 0.79 CYP3A4 (0.43) ALDH1A1HSD17B10HPGDCYP3A4TSHR
SCHEMBL660381 0.79 MEN1 (0.43) ALDH1A1HSD17B10HPGDCYP3A4TSHR
SCHEMBL9815065 0.78 MEN1 (0.42) ALDH1A1HSD17B10HPGDCYP3A4TSHR
SCHEMBL5746968 0.77 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDCYP3A4TSHR
SCHEMBL7746098 0.77 TSHR (0.41) ALDH1A1HSD17B10HPGDCYP3A4TSHR
SCHEMBL30345548 0.77 KMT2A (0.44) ALDH1A1HSD17B10HPGDCYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8384286-B2 Compound and organic light emitting device using the compound CANON KABUSHIKI KAISHA (JP) 2013-02-26 US disclosed
US-20120043535-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2012-02-23 US disclosed
US-8072136-B2 Compound and organic light emitting device using the compound CANON KABUSHIKI KAISHA (JP) 2011-12-06 US disclosed
EP-2004580-B1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE COMPOUND CANON KK (JP) 2011-05-25 EP disclosed
US-20100176716-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2010-07-15 US disclosed
EP-2004580-A4 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE COMPOUND CANON KK (JP) 2009-07-15 EP disclosed
EP-2004580-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE COMPOUND Canon Kabushiki Kaisha (JP) 2008-12-24 EP disclosed
WO-2007114038-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2007-10-11 WO 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-20100176716-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE COMPOUND KCNK9, TRPA1, KCNK10 ALDH1A1 336/4885HSD17B10 1445/4885HPGD 2953/4885

“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.