SCHEMBL3945288

SCHEMBL3945288

c1ccc(-c2ccc3c(c2)-c2cccc4cccc-3c24)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
MAPK1 P28482 4/20 0.60
HSD17B10 Q99714 4/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
TSHR P16473 3/20 0.60
ATM Q13315 3/20 0.60
MEN1 O00255 1/20 0.60
APAF1 O14727 1/20 0.60
NPC1 O15118 1/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
THRB P10828 1/20 0.60
XBP1 P17861 1/20 0.60
PTBP1 P26599 1/20 0.60
HTT P42858 1/20 0.60
RAB9A P51151 1/20 0.60
GALK1 P51570 1/20 0.60
BLM P54132 1/20 0.60
SMAD3 P84022 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL31107076 1.00 ALDH1A1 (0.60) ALDH1A1MAPK1HSD17B10L3MBTL1TSHR
SCHEMBL23546615 0.91 L3MBTL1 (0.51) ALDH1A1MAPK1HSD17B10L3MBTL1TSHR
Tannin Pyrogallol SCHEMBL9397283 0.89 ALDH1A1 (0.75) ALDH1A1MAPK1HSD17B10L3MBTL1TSHR
SCHEMBL23187815 0.88 L3MBTL1 (0.49) ALDH1A1MAPK1HSD17B10L3MBTL1TSHR
SCHEMBL23624356 0.88 L3MBTL1 (0.49) ALDH1A1MAPK1HSD17B10L3MBTL1TSHR
SCHEMBL23546613 0.88 ALDH1A1 (0.50) ALDH1A1MAPK1HSD17B10L3MBTL1TSHR
SCHEMBL23546616 0.88 ALDH1A1 (0.50) ALDH1A1MAPK1HSD17B10L3MBTL1TSHR
Fluoranthene SCHEMBL27589763 0.87 ALDH1A1 (0.79) ALDH1A1MAPK1HSD17B10L3MBTL1TSHR
SCHEMBL23764175 0.86 ALDH1A1 (0.48) ALDH1A1MAPK1HSD17B10L3MBTL1TSHR
SCHEMBL23546614 0.86 ALDH1A1 (0.48) ALDH1A1MAPK1HSD17B10L3MBTL1TSHR

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-20210070677-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, PHOTOELECTRIC CONVERSION APPARATUS, ELECTRONIC APPARATUS, LIGHTING APPARATUS, MOVING OBJECT, AND EXPOSURE LIGHT SOURCE CANON KABUSHIKI KAISHA (JP) 2021-03-11 US disclosed
EP-2049616-A1 ORGANIC LUMINESCENT DEVICE AND BENZO[K]FLUORANTHENE COMPOUND Canon Kabushiki Kaisha (JP) 2009-04-22 EP disclosed
WO-2008015945-A1 ORGANIC LUMINESCENT DEVICE AND BENZO[k]FLUORANTHENE COMPOUND CANON KABUSHIKI KAISHA (JP) 2008-02-07 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-20210070677-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, PHOTOELECTRIC CONVERSION APPARATUS, ELECTRONIC APPARATUS, LIGHTING APPARATUS, MOVING OBJECT, AND EXPOSURE LIGHT SOURCE CYP1A1, AOX1, CYP1B1 ALDH1A1 52/4885MAPK1 982/4885HSD17B10 1225/4885

“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.