Toluene

Toluene

SCHEMBL299997

CC(=O)Cc1ccc(C)cc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ CTBP2 P56545 1/20 0.52
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ CNR1 P21554 1/20 0.49
▸ CNR2 P34972 1/20 0.49
▸ LMNA P02545 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ CES2 O00748 2/20 0.47
▸ CES1 P23141 2/20 0.47
▸ AKR1B1 P15121 1/20 0.46
▸ PSMB8 P28062 1/20 0.46
▸ PSMB5 P28074 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 2/20 0.46

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 SCHEMBL249639 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL249116 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL249049 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL251831 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL9462510 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL8940231 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL1243215 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL1143384 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL16053153 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL2053140 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410577-B1 — — None — — US disclosed
CN-104272148-B The manufacture method of phase retardation film, polaroid and liquid crystal indicator 柯尼卡美能达株式会社 2016-08-31 — — CN disclosed
CN-104272148-A Method for producing phase difference film, polarizing plate, and liquid crystal display device KONICA MINOLTA INC 2015-01-07 — — CN disclosed
CN-101511799-B Cyclic amine compound DAIICHI SANKYO CO LTD 2012-05-30 — — CN disclosed
EP-1160252-B1 AVERMECTIN DERIVATIVES KITASATO INST (JP) 2012-05-02 — — EP disclosed
US-8158790-B2 Cyclic amine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-04-17 — — US disclosed
EP-2036896-B1 CYCLIC AMINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2012-03-14 — — EP disclosed
EP-2358369-A1 Process for the preparation of substantially optically pure repaglinide and precursors thereof Krka Tovarna Zdravil, D.D., Novo Mesto (SI) 2011-08-24 — — EP disclosed
EP-2332949-A1 Avermectin derivatives The Kitasato Institute (JP) 2011-06-15 — — EP disclosed
WO-2010046360-A1 PROCESS FOR THE PREPARATION OF SUBSTANTIALLY OPTICALLY PURE REPAGLINIDE AND PRECURSORS THEREOF KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2010-04-29 — — WO 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
US-20010031752-A1 Substituted 8,8a-dihydro-3ah-indeno[1,2-d]thiazoles, processes for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2001-10-18 — — US disclosed
US-6251917-B1 Benzamidoaldehydes and their use as cysteine protease inhibitors BASF AKTIENGESELLSCHAFT (DE) 2001-06-26 — — US disclosed
US-6143769-A ENANTIOMORPH KARL THOMAE GMBH (DE) 2000-11-07 — — US disclosed
CN-1048722-C (S)(+)-2-Ethoxy-4-[N-[1-(2-piperidino-phenyl)-3-methyl-1-butyl]-aminocarbonylmethyl]-benzoic acid, pharmaceutical compositions containing compound and processes for preparation thereof THOMAE GMBH DR K (DE) 2000-01-26 — — CN disclosed
CN-1238761-A benzamide aldehydes and their use as cysteine protease inhibitors BASF AG (DE) 1999-12-15 — — CN disclosed
US-5773439-A Amido-quinoxalinediones, the preparation and use thereof BASF AKTIENGESELLSCHAFT (DE) 1998-06-30 — — US disclosed
CN-1152918-A Novel amido quinoxaline diones, their preparation and use BASF AG (DE) 1997-06-25 — — CN disclosed
CN-1068820-A (S) (+)-2-oxyethyl group-4-[N-[1-(2-piperidino-phenyl)-3-methyl isophthalic acid-butyl] amino carbonyl methyl] phenylformic acid, contain pharmaceutical composition of this compound and preparation method thereof THOMAE GMBH DR K (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 (1 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-20010031752-A1 Substituted 8,8a-dihydro-3ah-indeno[1,2-d]thiazoles, processes for their preparation and their use as medicaments ALDH5A1, CYP11B1, CYP11B2 L3MBTL1 4476/4885TDP1 1415/4885SMN1; SMN2 3174/4885

“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