SCHEMBL17655879

SCHEMBL17655879

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cc(-c6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6)ccc45)cc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HPGD P15428 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CASP1 P29466 1/20 0.45
HIF1A Q16665 1/20 0.45
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
MAPT P10636 5/20 0.41
KDM4E B2RXH2 3/20 0.41
ATM Q13315 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL17656048 0.96 ALDH1A1 (0.44) ALDH1A1HPGDL3MBTL1TSHRMAPK1
SCHEMBL25596043 0.93 ALDH1A1 (0.44) ALDH1A1HPGDL3MBTL1TSHRMAPK1
SCHEMBL25596073 0.93 ALDH1A1 (0.44) ALDH1A1HPGDL3MBTL1TSHRMAPK1
SCHEMBL25596069 0.92 ALDH1A1 (0.43) ALDH1A1HPGDL3MBTL1TSHRMAPK1
SCHEMBL25596048 0.92 ALDH1A1 (0.45) ALDH1A1HPGDL3MBTL1TSHRMAPK1
SCHEMBL25596314 0.92 ALDH1A1 (0.40) ALDH1A1HPGDL3MBTL1TSHRMAPK1
SCHEMBL25596046 0.91 ALDH1A1 (0.42) ALDH1A1HPGDL3MBTL1TSHRMAPK1
SCHEMBL17754441 0.90 ESR1 (0.41) ALDH1A1HPGDL3MBTL1TSHRMAPK1
SCHEMBL25822853 0.90 ALDH1A1 (0.41) ALDH1A1HPGDL3MBTL1TSHRMAPK1
SCHEMBL25823259 0.90 ALDH1A1 (0.41) ALDH1A1HPGDL3MBTL1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165140-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2023-05-25 US disclosed
US-20230165140-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2023-05-25 US disclosed
EP-3002282-B1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEMICAL LTD (KR) 2019-01-02 EP disclosed
US-9882145-B2 Hetero ring compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2018-01-30 US disclosed
US-9882145-B2 Hetero ring compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2018-01-30 US disclosed
US-20160141514-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-05-19 US disclosed
US-20160141514-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-05-19 US disclosed
EP-3002282-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG Chem, Ltd. (KR) 2016-04-06 EP 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-20160141514-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CRY2, PER2 ALDH1A1 962/4885HPGD 3775/4885L3MBTL1 28/4885
US-20230165140-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, TMEM109, TRPA1 ALDH1A1 29/4885HPGD 2584/4885L3MBTL1 1064/4885

“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.