SCHEMBL2585346

SCHEMBL2585346

c1ccc2c(c1)cc1c3cc4c(cc3c3cccc2c31)cc1c2ccccc2c2cccc4c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
HSD17B10 Q99714 5/20 0.56
HIF1A Q16665 2/20 0.56
CYP1B1 Q16678 1/20 0.56
CYP1A2 P05177 3/20 0.50
HPGD P15428 3/20 0.50
TSHR P16473 2/20 0.50
ERBB2 P04626 1/20 0.50
FYN P06241 1/20 0.50
MAOA P21397 1/20 0.50
ACHE P22303 1/20 0.50
AHR P35869 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP1 P29466 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
THRB P10828 1/20 0.50
TRPM4 Q8TD43 1/20 0.45
HPRT1 P00492 3/20 0.42
CYP2A6 P11509 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL11314893 0.93 ALDH1A1 (0.58) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL503617 0.91 ALDH1A1 (0.56) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL5469879 0.89 ALDH1A1 (0.54) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL17474745 0.89 ALDH1A1 (0.56) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL17474743 0.89 ALDH1A1 (0.56) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL2321840 0.89 ALDH1A1 (0.62) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL132650 0.89 ALDH1A1 (0.62) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL2298145 0.88 ALDH1A1 (0.58) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL4847664 0.88 ALDH1A1 (0.64) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL4853963 0.88 ALDH1A1 (0.64) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102869636-B Novel organic compound and organic light-emitting device including the same CANON KK 2015-05-13 CN disclosed
US-9005778-B2 Organic compound and organic light-emitting device including the same CANON KABUSHIKI KAISHA (JP) 2015-04-14 US disclosed
EP-2569268-A4 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KK (JP) 2013-12-04 EP disclosed
EP-2569268-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Canon Kabushiki Kaisha (JP) 2013-03-20 EP disclosed
US-20130038515-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-14 US disclosed
CN-102869636-A Novel organic compound and organic light-emitting device including the same CANON KK 2013-01-09 CN disclosed
WO-2011136155-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-11-03 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-20130038515-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TYR, CYP3A4, DDT ALDH1A1 198/4885HSD17B10 949/4885HIF1A 3773/4885

“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.