Toluene

Toluene

SCHEMBL1532531

CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.61
▸ LMNA P02545 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ TSHR P16473 3/20 0.52
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ PIN1 Q13526 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ RAB9A P51151 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ RECQL P46063 1/20 0.44

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
Toluene SCHEMBL4248351 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL1996289 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL1159815 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL6346934 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL510300 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL1077296 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL8554033 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL414372 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL21490912 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL856707 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11744152-B2 Benzimidazo[1,2-a]benzimidazole derivatives for electronic applications UDC IRELAND LIMITED (IE) 2023-08-29 — — US disclosed
CN-111465592-B Compound, liquid crystal composition and liquid crystal display element 捷恩智株式会社 2023-05-16 — — CN disclosed
US-20230090208-A1 4H-Imidazo[1,2-a]imidazoles for Electronic Applications UDC IRELAND LTD (IE) 2023-03-23 — — US disclosed
CN-114315840-A 4H-imidazo [1,2-a ] imidazoles for electronic applications UDC 爱尔兰有限责任公司 2022-04-12 — — CN disclosed
CN-106188065-B 4H-imidazo [1,2-a ] imidazoles for electronic applications UDC 爱尔兰有限责任公司 2021-12-28 — — CN disclosed
CN-105906490-B Liquid crystalline compound having vinylidene group, liquid crystal composition, and liquid crystal display element 捷恩智株式会社 2021-06-29 — — CN disclosed
CN-107428651-B Liquid crystalline compound, liquid crystal composition, liquid crystal-encapsulated composite fiber, fiber aggregate, fiber composite, and liquid crystal display element 捷恩智株式会社 2021-06-22 — — CN disclosed
US-20210083200-A1 Benzimidazo[1,2-a]Benzimidazole Derivatives for Electronic Applications UDC IRELAND LTD (IE) 2021-03-18 — — US disclosed
US-10862051-B2 Benzimidazo[1,2-a]benzimidazole derivatives for electronic applications UDC IRELAND LIMITED (IE) 2020-12-08 — — US disclosed
US-20200299578-A1 POLYMERIZABLE COMPOUND HAVING METHOXYMETHYL ACRYLIC GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-09-24 — — US disclosed
US-7393569-B2 Hexafluoroisopropylidenebis- and sulfonylbis-(phenoxycarbonylphenoxyalkyl acrylates); hexafluoroisopropylidenebis- and sulfonylbis-(phenoxycarbonylphenoxyalkyloxetanes; stabilizes polymerizable liquid crystal compositions for a long time and controls the alignment of liquid crystal molecules CHISSO CORPORATION (JP) 2008-07-01 — — US disclosed
US-20060278851-A1 Polymerizable liquid crystal composition and polymer thereof CHISSO CORPORATION AND CHISSO PETROCHEMICAL CORPORATION 2006-12-14 — — US disclosed
US-20060252857-A1 Aminoaryl-1-3-5-triazines and their use as uv absorbers SCHAEFER THOMAS 2006-11-09 — — US disclosed
US-20050224757-A1 Photopolymerizable oxetane derivative and liquid-crystal composition containing it JNC PETROCHEMICAL CORPORATION (JP) 2005-10-13 — — US disclosed
US-6610708-B1 Anticoagulants SANKYO COMPANY, LIMITED (JP) 2003-08-26 — — US disclosed
EP-1063230-B1 CYCLIC AMINO COMPOUNDS SANKYO CO (JP) 2003-04-23 — — EP disclosed
EP-1063230-A1 CYCLIC AMINO COMPOUNDS Sankyo Company Limited (JP) 2000-12-27 — — EP disclosed
US-6087379-A AN ANTICOAGULANT FOR THE TREATMENT AND PREVENTION OF DISEASES AS EMBOLISM, THROMBOSIS OR ARTERIOSCLEROSIS SANKYO COMPANY, LIMITED (JP) 2000-07-11 — — US disclosed
US-4906277-A Isoxazoline derivatives and plant growth regulators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-03-06 — — US disclosed
US-4889551-A Isoxazoline derivatives and plant growth regulators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1989-12-26 — — 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 (8 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-20210083200-A1 Benzimidazo[1,2-a]Benzimidazole Derivatives for Electronic Applications PAICS, EIF4A1, ECI1 ALDH1A1 122/4885LMNA 2703/4885HSD17B10 4725/4885
US-20060252857-A1 Aminoaryl-1-3-5-triazines and their use as uv absorbers IK, CRY2, CRY1 ALDH1A1 482/4885LMNA 1550/4885HSD17B10 3318/4885
US-20060278851-A1 Polymerizable liquid crystal composition and polymer thereof NCAPD2, LANCL2, TAF1 ALDH1A1 2478/4885LMNA 2785/4885HSD17B10 529/4885
US-20230090208-A1 4H-Imidazo[1,2-a]imidazoles for Electronic Applications PAH, NISCH, KCNH1 ALDH1A1 405/4885LMNA 3528/4885HSD17B10 3615/4885
US-11744152-B2 Benzimidazo[1,2-a]benzimidazole derivatives for electronic applications PAICS, EIF4A1, ECI1 ALDH1A1 122/4885LMNA 2703/4885HSD17B10 4725/4885
US-10862051-B2 Benzimidazo[1,2-a]benzimidazole derivatives for electronic applications PAICS, EIF4A1, ECI1 ALDH1A1 106/4885LMNA 2620/4885HSD17B10 4687/4885
US-20050224757-A1 Photopolymerizable oxetane derivative and liquid-crystal composition containing it TAC3, CPNE4, CNPY3 ALDH1A1 2259/4885LMNA 2717/4885HSD17B10 2687/4885
US-20200299578-A1 POLYMERIZABLE COMPOUND HAVING METHOXYMETHYL ACRYLIC GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, CCND1, CPNE4 ALDH1A1 1924/4885LMNA 1684/4885HSD17B10 2264/4885

“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.

Send feedback