SCHEMBL405253

SCHEMBL405253

c1cc2c3c(cccc3c1)-c1cc3c4ccccc4c4ccccc4c3cc1-2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
HSD17B10 Q99714 6/20 0.70
MAPK1 P28482 4/20 0.70
TSHR P16473 4/20 0.70
HPGD P15428 4/20 0.70
CASP1 P29466 3/20 0.70
HIF1A Q16665 2/20 0.70
CASP7 P55210 2/20 0.70
TP53 P04637 1/20 0.70
L3MBTL1 Q9Y468 2/20 0.64
ATM Q13315 2/20 0.64
CYP1A2 P05177 3/20 0.54
THRB P10828 1/20 0.54
CYP3A4 P08684 2/20 0.50
PABPC1 P11940 1/20 0.50
DNMT1 P26358 1/20 0.50
CES1 P23141 2/20 0.46
CES2 O00748 1/20 0.46
BCHE P06276 1/20 0.46
MCL1 Q07820 1/20 0.46

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
SCHEMBL8097609 0.96 ALDH1A1 (0.64) ALDH1A1HSD17B10MAPK1TSHRHPGD
SCHEMBL3839468 0.91 ALDH1A1 (0.71) ALDH1A1HSD17B10MAPK1TSHRHPGD
Triphenylene SCHEMBL21351780 0.87 ALDH1A1 (0.83) ALDH1A1HSD17B10MAPK1TSHRHPGD
SCHEMBL15562540 0.84 ALDH1A1 (0.61) ALDH1A1HSD17B10MAPK1TSHRHPGD
SCHEMBL23081257 0.83 ALDH1A1 (0.59) ALDH1A1HSD17B10MAPK1TSHRHPGD
SCHEMBL4852349 0.83 ALDH1A1 (0.65) ALDH1A1HSD17B10MAPK1TSHRHPGD
SCHEMBL16945544 0.82 ALDH1A1 (0.48) ALDH1A1HSD17B10MAPK1TSHRHPGD
Benzo(K)Fluoranthene SCHEMBL3432727 0.82 ALDH1A1 (0.66) ALDH1A1HSD17B10MAPK1TSHRHPGD
Benzo(K)Fluoranthene SCHEMBL175484 0.82 ALDH1A1 (1.00) ALDH1A1HSD17B10MAPK1TSHRHPGD
Benzo(K)Fluoranthene SCHEMBL29393074 0.82 ALDH1A1 (1.00) ALDH1A1HSD17B10MAPK1TSHRHPGD

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-8101759-B2 Acenaphthopyridine derivative, material of light-emitting element, light-emitting element, light-emitting device, and electronic appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-01-24 US disclosed
WO-2009119869-A1 ACENAPHTHOPYRIDINE DERIVATIVE, MATERIAL OF LIGHT-EMITTING ELEMENT, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC APPLIANCE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-10-01 WO disclosed
US-20090247753-A1 Acenaphthopyridine Derivative, Material of Light-Emitting Element, Light-Emitting Element, Light-Emitting Device, and Electronic Appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-10-01 US disclosed
JP-2000159697-A HYDROCARBON COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUI CHEMICALS INC 2000-06-13 JP 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-20090247753-A1 Acenaphthopyridine Derivative, Material of Light-Emitting Element, Light-Emitting Element, Light-Emitting Device, and Electronic Appliance ACE, HRH2, ATP6AP1 ALDH1A1 246/4885HSD17B10 2900/4885MAPK1 1810/4885

“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.