SCHEMBL1611801

SCHEMBL1611801

[C]#Cc1c2ccccc2cc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 5/20 0.44
HIF1A Q16665 2/20 0.44
CYP1B1 Q16678 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
HTR2A P28223 1/20 0.43
CYP1A2 P05177 4/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP3A4 P08684 1/20 0.40
ERBB2 P04626 1/20 0.40
FYN P06241 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
AHR P35869 1/20 0.40
TRPM4 Q8TD43 1/20 0.39

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
SCHEMBL14165957 0.79 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL1920795 0.77 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL29391266 0.75 ALDH1A1 (0.58) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL738593 0.75 ALDH1A1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL1610724 0.75 ALDH1A1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL32211 0.75 ALDH1A1 (0.58) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL5012529 0.75 ALDH1A1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
Benzene SCHEMBL28903867 0.73 ALDH1A1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL8204899 0.73 PTPN22 (0.54) ALDH1A1HSD17B10L3MBTL1CYP1A2HPGD
SCHEMBL17530125 0.71 TRPM4 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4379888-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY PROVIDED WITH SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-06-05 EP disclosed
EP-4379833-A1 NEGATIVE ELECTRODE, LITHIUM ION SECONDARY BATTERY, AND MANUFACTURING METHOD FOR LITHIUM ION SECONDARY BATTERY SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-06-05 EP disclosed
CN-117836963-A Negative electrode, lithium ion secondary battery, and method for manufacturing lithium ion secondary battery 信越化学工业株式会社 2024-04-05 CN disclosed
CN-117795727-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery provided with same 信越化学工业株式会社 2024-03-29 CN disclosed
WO-2023008030-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY PROVIDED WITH SAME 信越化学工業株式会社 2023-02-02 WO disclosed
EP-3098226-B1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2018-12-12 EP disclosed
US-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2018-10-16 US disclosed
EP-3098226-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2016-11-30 EP disclosed
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
CN-101111499-B Substituted ethynyl gold-nitrogen-containing heterocyclic carbene complex and organic electroluminescent device using the same UBE INDUSTRIES 2012-05-23 CN disclosed
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
CN-101111499-A Substituted ethynyl gold-nitrogenated heterocyclic carbene complex and organic electroluminescent device using same UBE INDUSTRIES (JP) 2008-01-23 CN 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-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator BLM, HPRT1, BROX ALDH1A1 2646/4885HSD17B10 3980/4885HIF1A 2408/4885
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR ENPP3, GNG2, ENPP1 ALDH1A1 4040/4885HSD17B10 4563/4885HIF1A 4595/4885
US-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 ALDH1A1 137/4885HSD17B10 805/4885HIF1A 1984/4885

“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.