SCHEMBL1369326

SCHEMBL1369326

[c]1ccc(-c2cccc3c4ccccc4c4ccccc4c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CASP1 P29466 1/20 0.36
HIF1A Q16665 1/20 0.36
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
LIMK1 P53667 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
PLK4 O00444 1/20 0.32
MAPK9 P45984 1/20 0.32

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
SCHEMBL26087273 0.84 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDCYP1A2THRB
Benzene SCHEMBL29177892 0.81 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL5887704 0.81 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL30302621 0.81 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL20774194 0.80 HSD17B10 (0.43) ALDH1A1HSD17B10HPGDCYP1A2THRB
Biphenyl SCHEMBL29177817 0.79 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL28586206 0.79 KEAP1 (0.48) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL2591759 0.79 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDL3MBTL1CASP1
SCHEMBL161269 0.78 CA12 (0.49) ALDH1A1HSD17B10HPGDCYP1A2TSHR
Water SCHEMBL27550628 0.78 CA12 (0.49) ALDH1A1HSD17B10HPGDCYP1A2TSHR

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240172560-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2024-05-23 US claimed
US-20240114784-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2024-04-04 US claimed
CN-112739704-B Novel compound and organic light emitting device comprising the same 株式会社LG化学 2024-02-23 CN claimed
WO-2023206439-A1 SECONDARY BATTERY, AND BATTERY MODULE, BATTERY PACK AND ELECTRIC DEVICE COMPRISING SAME 宁德时代新能源科技股份有限公司 2023-11-02 WO claimed
WO-2023206449-A1 SECONDARY BATTERY AND BATTERY MODULE COMPRISING SAME, BATTERY PACK, AND ELECTRICAL DEVICE 宁德时代新能源科技股份有限公司 2023-11-02 WO claimed
WO-2023206421-A1 SECONDARY BATTERY, AND BATTERY MODULE, BATTERY PACK AND ELECTRIC DEVICE COMPRISING SAME 宁德时代新能源科技股份有限公司 2023-11-02 WO claimed
EP-4270508-A1 ORGANIC LIGHT EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-11-01 EP claimed
EP-4270509-A1 ORGANIC LIGHT-EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-11-01 EP claimed
CN-113121441-A Compound and application thereof 北京鼎材科技有限公司 2021-07-16 CN claimed
CN-111276621-A Organic photoelectric device and display device 三星SDI株式会社 2020-06-12 CN claimed
CN-111072666-A Organic electroluminescent material and application thereof 北京鼎材科技有限公司 2020-04-28 CN claimed
CN-108046976-A A kind of preparation method of trisubstituted benzene 赵东敏 2018-05-18 CN claimed
CN-118339941-A Mixed powder and method for producing same, method for producing organic electroluminescent element using same, method for selecting compound in mixed powder, and composition for vacuum vapor deposition 出光兴产株式会社 2024-07-12 CN disclosed
US-20240172560-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2024-05-23 US disclosed
US-20240114784-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2024-04-04 US disclosed
CN-117616909-A Mixed powder for organic electroluminescent element and method for producing same, method for producing organic electroluminescent element using same, method for selecting compound in mixed powder, and composition for vacuum evaporation 出光兴产株式会社 2024-02-27 CN disclosed
CN-102300859-A 1,3, 5-triazine derivative, method for producing same, and organic electroluminescent element comprising same 2011-12-28 CN disclosed
US-20110288295-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2011-11-24 US disclosed
WO-2011136156-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2011-11-03 WO disclosed
EP-2361909-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME Tosoh Corporation (JP) 2011-08-31 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 (3 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-20110288295-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME VDAC1, MT-ND5, TRPC5 ALDH1A1 235/4885HSD17B10 1606/4885HPGD 2648/4885
US-20240172560-A1 ORGANIC LIGHT EMITTING DEVICE CRY1, CYBA, CRY2 ALDH1A1 8/4885HSD17B10 563/4885HPGD 1397/4885
US-20240114784-A1 ORGANIC LIGHT EMITTING DEVICE CRY1, CRY2, CYBA ALDH1A1 8/4885HSD17B10 615/4885HPGD 1531/4885

“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.