SCHEMBL4076119

SCHEMBL4076119

c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccccc4)c4cccc-3c24)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.42
PARP1 P09874 1/20 0.41
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
METAP2 P50579 1/20 0.38
TNF P01375 1/20 0.38
LIMK1 P53667 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
MAP4K4 O95819 1/20 0.37
CSF1R P07333 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
LTK P29376 1/20 0.37
KDR P35968 1/20 0.37
MAPK8 P45983 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CDK5 Q00535 1/20 0.37
ACVR1 Q04771 1/20 0.37

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
SCHEMBL3511045 0.94 METAP2 (0.43) ENPP1PARP1CRHBPCRHR2KEAP1
SCHEMBL4081786 0.91 CA12 (0.44) ENPP1TNFALDH1A1HSD17B10HPGD
SCHEMBL18905752 0.90 ENPP1 (0.44) ENPP1PARP1CRHBPCRHR2KEAP1
SCHEMBL13085142 0.90 MAPK1 (0.44) ENPP1PARP1CRHBPCRHR2KEAP1
SCHEMBL16485032 0.90 CYP1A2 (0.44) ENPP1PARP1KEAP1NFE2L2MAP4K4
SCHEMBL11888000 0.90 ENPP1 (0.37) ENPP1PARP1CRHBPCRHR2KEAP1
SCHEMBL14226899 0.90 ENPP1 (0.44) ENPP1PARP1CRHBPCRHR2KEAP1
SCHEMBL3223984 0.90 MAPK1 (0.44) ENPP1PARP1CRHBPCRHR2KEAP1
SCHEMBL13085213 0.88 CA12 (0.40) ENPP1PARP1CRHBPCRHR2KEAP1
SCHEMBL13492559 0.88 ENPP1 (0.43) ENPP1PARP1CRHBPCRHR2KEAP1

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
EP-2085371-B1 FLUORANTHENE COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE USING THE FLUORANTHENE COMPOUND, AND ORGANIC ELECTROLUMINESCENT MATERIAL-CONTAINING SOLUTION IDEMITSU KOSAN CO (JP) 2015-10-07 EP disclosed
US-9120748-B2 Fluoranthene compound, organic electroluminescence device using the same, and solution containing organic electroluminescence material IDEMITSU KOSAN CO., LTD. (JP) 2015-09-01 US disclosed
EP-2085371-A1 FLUORANTHENE COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE USING THE FLUORANTHENE COMPOUND, AND ORGANIC ELECTROLUMINESCENT MATERIAL-CONTAINING SOLUTION Idemitsu Kosan Co., Ltd. (JP) 2009-08-05 EP disclosed
US-20090015144-A1 FLUORANTHENE COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME, AND SOLUTION CONTAINING ORGANIC ELECTROLUMINESCENCE MATERIAL IDEMITSU KOSAN CO., LTD. (JP) 2009-01-15 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-20090015144-A1 FLUORANTHENE COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME, AND SOLUTION CONTAINING ORGANIC ELECTROLUMINESCENCE MATERIAL LEF1, ESD, AFF2 ENPP1 553/4885PARP1 1670/4885CRHBP 4863/4885

“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.