SCHEMBL2298145

SCHEMBL2298145

c1ccc2c(c1)c1cccc3c4ccc5cc6c(cc5c4cc2c31)c1cccc2cccc6c21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
HSD17B10 Q99714 7/20 0.58
CYP1A2 P05177 6/20 0.58
HPGD P15428 5/20 0.58
THRB P10828 1/20 0.58
FYN P06241 2/20 0.57
ACHE P22303 2/20 0.57
AHR P35869 2/20 0.57
ERBB2 P04626 1/20 0.57
MAOA P21397 1/20 0.57
HIF1A Q16665 2/20 0.52
CYP1B1 Q16678 2/20 0.52
HPRT1 P00492 4/20 0.44
TSHR P16473 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CYP3A4 P08684 2/20 0.39
CYP1A1 P04798 1/20 0.39
TRPM4 Q8TD43 1/20 0.38

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
SCHEMBL503617 0.92 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL5469879 0.90 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL4851543 0.90 ALDH1A1 (0.60) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL11314893 0.90 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL4847664 0.88 ALDH1A1 (0.64) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL4853963 0.88 ALDH1A1 (0.64) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL2585346 0.88 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL29268806 0.86 ALDH1A1 (0.61) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL4853562 0.86 ALDH1A1 (0.67) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL4851956 0.86 ALDH1A1 (0.67) ALDH1A1HSD17B10CYP1A2HPGDTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8932736-B2 Organic compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2015-01-13 US disclosed
US-20120313085-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2012-12-13 US disclosed
WO-2011102102-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2011-08-25 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-20120313085-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE MRPL38, CRY1, TYR ALDH1A1 459/4885HSD17B10 2784/4885CYP1A2 235/4885

“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.