SCHEMBL12431985

SCHEMBL12431985

OB(O)c1cc2ccc3ccc4ccc5ccc1c1c5c4c3c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.34
FYN P06241 2/20 0.34
ACHE P22303 2/20 0.34
AHR P35869 2/20 0.34
ERBB2 P04626 1/20 0.34
MAOA P21397 1/20 0.34
ALDH1A1 P00352 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
LCK P06239 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL31150378 1.00 CYP1A2 (0.34) CYP1A2FYNACHEAHRERBB2
SCHEMBL13080593 0.80 CYP1A2 (0.53) CYP1A2FYNACHEAHRERBB2
SCHEMBL2597530 0.80 ALDH1A1 (0.39) CYP1A2FYNACHEAHRERBB2
SCHEMBL20551910 0.76 MAPT (0.34) CA2MAPT
SCHEMBL633807 0.74 CYP1A2 (0.47) CYP1A2FYNACHEAHRERBB2
SCHEMBL30203231 0.74 CYP1A2 (0.47) CYP1A2FYNACHEAHRERBB2
SCHEMBL29628999 0.74 HSD17B10 (0.47) CYP1A2FYNACHEAHRERBB2
SCHEMBL28759609 0.74 HSD17B10 (0.47) CYP1A2FYNACHEAHRERBB2
SCHEMBL1816278 0.73 CYP1A2 (0.65) CYP1A2FYNACHEAHRERBB2
SCHEMBL1753908 0.73 ERBB2 (0.34) CYP1A2FYNACHEAHRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2016036-B1 FLUORANTHENE DERIVATIVE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE SAME CANON KK (JP) 2014-06-04 EP disclosed
US-8283053-B2 Fluoranthene derivative and organic light emitting device having the same CANON KABUSHIKI KAISHA (JP) 2012-10-09 US disclosed
US-8283053-B2 Fluoranthene derivative and organic light emitting device having the same CANON KABUSHIKI KAISHA (JP) 2012-10-09 US disclosed
US-7981525-B2 Naphthalene compound and organic light-emitting device using the compound CANON KABUSHIKI KAISHA (JP) 2011-07-19 US disclosed
US-7981525-B2 Naphthalene compound and organic light-emitting device using the compound CANON KABUSHIKI KAISHA (JP) 2011-07-19 US disclosed
US-20090102371-A1 FLUORANTHENE DERIVATIVE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2009-04-23 US disclosed
US-20090102371-A1 FLUORANTHENE DERIVATIVE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2009-04-23 US disclosed
US-20080224603-A1 NAPHTHALENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2008-09-18 US disclosed
US-20080224603-A1 NAPHTHALENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2008-09-18 US disclosed
WO-2007126112-A1 FLUORANTHENE DERIVATIVE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2007-11-08 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 (2 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-20080224603-A1 NAPHTHALENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND AHR, CRY1, NR2E3 CYP1A2 81/4885FYN 4061/4885ACHE 1305/4885
US-20090102371-A1 FLUORANTHENE DERIVATIVE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE SAME AFF2, LEF1, AFF4 CYP1A2 28/4885FYN 1369/4885ACHE 636/4885

“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.