SCHEMBL1718299

SCHEMBL1718299

Nc1ccccc1-c1ccccc1-c1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
HSD17B10 Q99714 6/20 0.62
TSHR P16473 5/20 0.62
HPGD P15428 3/20 0.62
KEAP1 Q14145 2/20 0.62
CYP3A4 P08684 2/20 0.62
L3MBTL1 Q9Y468 3/20 0.59
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
NFE2L2 Q16236 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
DHFR P00374 1/20 0.44
ADORA2A P29274 1/20 0.44
IDO1 P14902 1/20 0.42
MAPK1 P28482 2/20 0.42
ATM Q13315 1/20 0.42
HPRT1 P00492 1/20 0.42
CASP1 P29466 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP2A6 P11509 1/20 0.42

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
SCHEMBL4922363 1.00 ALDH1A1 (0.62) ALDH1A1HSD17B10TSHRHPGDKEAP1
SCHEMBL29521589 0.98 ALDH1A1 (0.65) ALDH1A1HSD17B10TSHRHPGDKEAP1
SCHEMBL56035 0.98 ALDH1A1 (0.65) ALDH1A1HSD17B10TSHRHPGDKEAP1
Hydrochloric Acid SCHEMBL11581872 0.95 ALDH1A1 (0.62) ALDH1A1HSD17B10TSHRHPGDKEAP1
SCHEMBL16623899 0.88 ALDH1A1 (0.77) ALDH1A1HSD17B10TSHRHPGDKEAP1
SCHEMBL1809982 0.87 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRHPGDKEAP1
SCHEMBL29177949 0.87 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRHPGDKEAP1
SCHEMBL2844257 0.87 HPRT1 (0.59) ALDH1A1HSD17B10TSHRHPGDKEAP1
SCHEMBL4922377 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRHPGDKEAP1
SCHEMBL1225129 0.84 ALDH1A1 (0.60) ALDH1A1HSD17B10TSHRHPGDKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131133-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME HEESUNG MATERIAL LTD. (KR) 2020-04-30 US disclosed
CN-105492424-B Indenoindole derivative and organic electroluminescence device 保土谷化学工业株式会社 2018-11-27 CN disclosed
CN-106469744-A Organic light-emitting display device 乐金显示有限公司 2017-03-01 CN disclosed
EP-1791926-B1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME(10) LG CHEMICAL LTD (KR) 2016-08-31 EP disclosed
EP-1791928-B1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME (7) LG CHEMICAL LTD (KR) 2012-01-11 EP disclosed
US-7824779-B2 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2010-11-02 US disclosed
US-7811682-B2 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2010-10-12 US disclosed
US-20080303434-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2008-12-11 US disclosed
EP-1791926-A4 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME(10) LG CHEMICAL LTD (KR) 2008-06-11 EP disclosed
EP-1791928-A4 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME (7) LG CHEMICAL LTD (KR) 2008-06-11 EP disclosed
US-20080008907-A1 Compound And Organic Light Emitting Device Using The Same LG CHEM, LTD. (PROSECUTION) (KR) 2008-01-10 US disclosed
EP-1791926-A1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME(10) LG Chem, Ltd. (KR) 2007-06-06 EP disclosed
EP-1791928-A1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME (7) LG Chemical Co. Ltd (KR) 2007-06-06 EP disclosed
WO-2006080638-A1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME (7) LG CHEM. LTD. (KR) 2006-08-03 WO disclosed
WO-2006033564-A1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME(10) LG CHEM. LTD. (KR) 2006-03-30 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-20200131133-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 ALDH1A1 8/4885HSD17B10 1074/4885TSHR 4042/4885
US-20080303434-A1 Compound and Organic Light Emitting Device Using the Same PPOX, CRY1, CRY2 ALDH1A1 318/4885HSD17B10 1975/4885TSHR 3910/4885

“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.