SCHEMBL762280

SCHEMBL762280

c1ccc(-c2c3ccccc3c3c4c(cccc24)-c2cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc2-3)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.35
TGFBR1 P36897 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
MAPK1 P28482 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
CCR1 P32246 3/20 0.33
CCR5 P51681 3/20 0.33
CCR8 P51685 3/20 0.33
LMNA P02545 2/20 0.33
HIF1A Q16665 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
SCHEMBL762746 0.85 DHODH (0.38) PDK2TGFBR1MAPK1KDM4EHSD17B10
SCHEMBL12367181 0.85 TGFBR1 (0.38) PDK2TGFBR1MAPK1KDM4EHSD17B10
SCHEMBL12367178 0.84 PDK2 (0.36) PDK2TGFBR1CRHBPCRHR2KEAP1
SCHEMBL762142 0.82 CRHBP (0.37) PDK2TGFBR1CRHBPCRHR2KEAP1
SCHEMBL14805251 0.78 KDM4E (0.43) PDK2TGFBR1CRHBPCRHR2KEAP1
SCHEMBL12367180 0.78 HPGD (0.35) PDK2TGFBR1MAPK1KDM4EHSD17B10
SCHEMBL18697687 0.78 DHODH (0.41) PDK2TGFBR1CRHBPCRHR2KEAP1
SCHEMBL13335817 0.78 PDK2 (0.35) PDK2TGFBR1MAPK1KDM4EHSD17B10
SCHEMBL13016380 0.77 KDM4E (0.42) PDK2TGFBR1CRHBPCRHR2KEAP1
SCHEMBL11992102 0.77 LMNA (0.42) PDK2TGFBR1MAPK1KDM4EHSD17B10

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-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

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 PDK2 3142/4885TGFBR1 1071/4885CRHBP 4008/4885

“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.