SCHEMBL12425495

SCHEMBL12425495

c1ccc(-c2oc3c(-c4ccccc4)c(-c4ccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cc4)c4ccccc4c3c2-c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 3/20 0.37
ATM Q13315 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ABCG2 Q9UNQ0 4/20 0.36
TNK2 Q07912 1/20 0.35
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35
ABCC1 P33527 1/20 0.34

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
SCHEMBL27360985 0.87 TNK2 (0.43) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL12425609 0.84 ALOX5 (0.37) ALDH1A1KDM4EHSD17B10ATMMAPT
SCHEMBL10014217 0.84 ENPP3 (0.42) ALDH1A1KDM4EHSD17B10ATMMAPT
SCHEMBL12425505 0.83 TNK2 (0.38) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL10014194 0.83 ENPP3 (0.43) ALDH1A1KDM4EHSD17B10ATMMAPT
SCHEMBL12787508 0.82 ENPP3 (0.43) ALDH1A1KDM4EHSD17B10ATMMAPT
SCHEMBL12425506 0.81 PTGS2 (0.41) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL12623224 0.81 ENPP3 (0.42) ALDH1A1KDM4EHSD17B10ATMMAPT
SCHEMBL9925451 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10ATMMAPT
SCHEMBL12623241 0.80 ENPP3 (0.41) ALDH1A1KDM4EHSD17B10ATMMAPT

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-9028977-B2 Compound, method for preparing same and organic electronic device using same LG CHEM, LTD. (KR) 2015-05-12 US disclosed
US-9028977-B2 Compound, method for preparing same and organic electronic device using same LG CHEM, LTD. (KR) 2015-05-12 US disclosed
US-20110168992-A1 NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-07-14 US disclosed
US-20110168992-A1 NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-07-14 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-20110168992-A1 NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME OR10J3, USE1, NOTUM ALDH1A1 1288/4885KDM4E 806/4885HSD17B10 2221/4885

“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.