SCHEMBL762745

SCHEMBL762745

c1ccc(N(c2ccc3c(c2)-c2cccc4c(-c5c6ccccc6c6c7c(cccc57)-c5ccccc5-6)ccc-3c24)c2cccc3ccccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ANPEP P15144 1/20 0.33
SIGMAR1 Q99720 3/20 0.32
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31

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
SCHEMBL12014716 0.89 ALDH1A1 (0.38) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL761808 0.88 HTR2C (0.32) ALDH1A1HPGDMAPK1HSD17B10
SCHEMBL16560539 0.85 SIGMAR1 (0.41) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL12926113 0.83 SIGMAR1 (0.42) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL23155179 0.82 SIGMAR1 (0.38) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL15002968 0.81 ALDH1A1 (0.32) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL762778 0.81 ENPP1 (0.30)
SCHEMBL763010 0.81 PTPRC (0.35) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL19942869 0.81 ANPEP (0.40) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL12014674 0.80 SIGMAR1 (0.38) L3MBTL1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138668-B2 Benzo[a]fluoranthene compound and organic light emitting device using the same CANON KABUSHIKI KAISHA (JP) 2012-03-20 US disclosed
US-8138668-B2 Benzo[a]fluoranthene compound and organic light emitting device using the same CANON KABUSHIKI KAISHA (JP) 2012-03-20 US disclosed
US-20100019661-A1 BENZO[a]FLUORANTHENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2010-01-28 US disclosed
US-20100019661-A1 BENZO[a]FLUORANTHENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2010-01-28 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-20100019661-A1 BENZO[a]FLUORANTHENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME AFF1, AFF2, CYP1A1 ALDH1A1 160/4885HPGD 1324/4885TSHR 1005/4885

“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.