Toluene

Toluene

SCHEMBL510161

CCOC(C)=O.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 SCHEMBL8981408 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL1405615 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL8533815 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL14353557 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL15348475 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL9466202 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL6453722 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL2479008 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL9305273 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL21490912 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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220218713-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES HONG KONG KING-FRIEND INDUSTRIAL COMPANY LTD. (CN) 2022-07-14 US disclosed
CN-106987256-B Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element using same JNC株式会社 2021-09-21 CN disclosed
US-20210113571-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES HONG KONG KING-FRIEND INDUSTRIAL COMPANY LTD. (CN) 2021-04-22 US disclosed
US-20200281933-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES HONG KONG KING-FRIEND INDUSTRIAL COMPANY LTD. (CN) 2020-09-10 US disclosed
US-20200030335-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES HONG KONG KING-FRIEND INDUSTRIAL COMPANY LTD. (CN) 2020-01-30 US disclosed
US-20190175603-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES HONG KONG KING-FRIEND INDUSTRIAL COMPANY LTD. (CN) 2019-06-13 US disclosed
US-20180303842-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES HONG KONG KING-FRIEND INDUSTRIAL COMPANY LTD. (CN) 2018-10-25 US disclosed
CN-104211624-B For the pleuromutilin derivative for the disease for treating microbe-mediated 纳布里瓦治疗股份公司 2017-12-15 CN disclosed
US-20170266194-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES HONG KONG KING-FRIEND INDUSTRIAL COMPANY LTD. (CN) 2017-09-21 US disclosed
CN-104379572-B Benzo [a] carbazole compound, electron transport materials and use its organic electric-field light-emitting element 捷恩智株式会社 2016-09-21 CN disclosed
EP-1698613-A1 TETRAMINE COMPOUND AND ORGANIC EL DEVICE Hodogaya Chemical Co., Ltd. (JP) 2006-09-06 EP disclosed
US-20050184657-A1 Organic electroluminescent device DENSO CORPORATION 2005-08-25 US disclosed
CN-1637011-A Avermectin derivatives KITASATO INST (JP) 2005-07-13 CN disclosed
CN-1202116-C Avermectin derivatives KITASATO INST (JP) 2005-05-18 CN disclosed
US-6605595-B1 Higher antiparasitic activity THE KITASATO INSTITUTE (JP) 2003-08-12 US disclosed
CN-1346362-A Avermectin derivatives KITASATO INST (JP) 2002-04-24 CN disclosed
EP-1160252-A1 AVERMECTIN DERIVATIVES THE KITASATO INSTITUTE (JP) 2001-12-05 EP disclosed
EP-0662829-A1 POLYAMINE DERIVATIVES AS ANTI-CYTOMEGALOVIRAL AGENTS MERRELL PHARMACEUTICALS INC. (US) 1995-07-19 EP disclosed
WO-1994007480-A1 POLYAMINE DERIVATIVES AS ANTI-CYTOMEGALOVIRAL AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-04-14 WO disclosed
CN-1068814-A Tetracyclic antibiotic and manufacture method thereof HOECHST AG (DE) 1993-02-10 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 (7 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-20200281933-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES FABP2, PLEC, FABP6 ALDH1A1 870/4885LMNA 4302/4885HSD17B10 2438/4885
US-20220218713-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES FABP2, PLEC, FABP6 ALDH1A1 852/4885LMNA 4184/4885HSD17B10 2454/4885
US-20190175603-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES FABP2, PLEC, FABP6 ALDH1A1 870/4885LMNA 4302/4885HSD17B10 2438/4885
US-20170266194-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES HRH4, HRH2, CHRM1 ALDH1A1 1122/4885LMNA 4468/4885HSD17B10 2577/4885
US-20200030335-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES HRH4, HRH2, CHRM1 ALDH1A1 1122/4885LMNA 4468/4885HSD17B10 2577/4885
US-20210113571-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES FABP2, PLEC, FABP6 ALDH1A1 852/4885LMNA 4184/4885HSD17B10 2454/4885
US-20180303842-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES FABP2, PLEC, FABP6 ALDH1A1 870/4885LMNA 4302/4885HSD17B10 2438/4885

“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.