Toluene

Toluene

SCHEMBL349785

CCCCOCCCC.Cc1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
ALDH1A1 P00352 2/20 0.50
LTA4H P09960 2/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
ACHE P22303 1/20 0.50
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RARB P10826 1/20 0.41

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 SCHEMBL4953353 0.93 LTA4H (0.50) TSHRALDH1A1LTA4HLMNAALOX12
Toluene SCHEMBL27590448 0.92 TSHR (0.45) TSHRALDH1A1LTA4HLMNAALOX12
Toluene SCHEMBL11062278 0.91 LTA4H (0.48) TSHRALDH1A1LTA4HLMNAALOX12
Butoxyethanol SCHEMBL5892032 0.90 TSHR (0.63) TSHRALDH1A1LTA4HLMNAALOX12
Toluene SCHEMBL9105788 0.90 TSHR (0.52) TSHRALDH1A1LTA4HLMNAALOX12
Butoxyethanol SCHEMBL9105780 0.89 TSHR (0.61) TSHRALDH1A1LTA4HLMNAALOX12
P-Xylene SCHEMBL27374298 0.88 TSHR (0.50) TSHRALDH1A1LTA4HLMNAACHE
P-Xylene SCHEMBL28282785 0.86 TSHR (0.48) TSHRALDH1A1LMNAACHEHPGD
Toluene SCHEMBL27526151 0.85 MEN1 (0.60) TSHRALDH1A1LTA4HLMNAALOX12
Toluene SCHEMBL8093134 0.84 LTA4H (0.48) TSHRLTA4HLMNAALOX12ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103172480-B Method for preparing iodo aromatic hydrocarbon UNIV HENAN SCIENCE & TECH 2015-01-21 CN claimed
CN-101501078-A Process for preparing a catalyst component for the polymerization of olefins BASELL POLIOLEFINE SRL (IT) 2009-08-05 CN claimed
US-7425629-B2 Stereoselective synthesis of certain trifluoromethyl-substituted alcohols BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-09-16 US claimed
EP-1934218-A1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS Boehringer Ingelheim International GmbH (DE) 2008-06-25 EP claimed
US-20070100142-A1 Reacting 1-amino-2-hydroxy-indene with a first protecting group containing a leaving group, followed by acetylation to prepare a protected intermediate, reacting with trifluoromethyl substituted ketone, then with metal oxide, hydrolysis, esterification, reaction with amino-picoline BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2007-05-03 US claimed
WO-2007040959-A1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-12 WO claimed
US-4902826-A REACTING LITHIUM 2-CHLOROBENZOATE WITH LITHIUM THIOPHENOXIDE OR DERIVATIVE BAYER AKTIENGESELLSCHAFT (DE) 1990-02-20 US claimed
CN-118005827-A Photopolymerization initiator 科巨希化学股份有限公司 2024-05-10 CN disclosed
CN-114929757-B Photopolymerization initiator 科巨希化学股份有限公司 2024-02-20 CN disclosed
CN-109416957-A Refractive index matching layers for optical application 霍尼韦尔国际公司 2019-03-01 CN disclosed
CN-106414475-B The method for producing the derovatives of 21 methoxyl group, 11 β phenyl, 19 norpregna, 4,9 diene 3,20 吉瑞工厂 2018-04-10 CN disclosed
US-20180022642-A1 INDEX MATCHING LAYER IN OPTICAL APPLICATIONS HONEYWELL INTERNATIONAL INC. 2018-01-25 US disclosed
US-9871225-B2 Organic electroluminescence element Konica Minolta, Inc. (JP) 2018-01-16 US disclosed
US-20050239264-A1 Materials suitable for shallow trench isolation HONEYWELL INTERNATIONAL INC. 2005-10-27 US disclosed
CN-1052490-C Method for increasing alpha to beta ratio in aspartame coupling reaction NUTRASWEET CO (US) 2000-05-17 CN disclosed
US-5071898-A Chlorinated vinyl and polyolefin resin; heat resistance CIBA-GEIGY CORPORATION (US) 1991-12-10 US disclosed
CN-1055539-A The method of α and beta ratio in raising L-aspartyl-L-phenyl methyl lactamine coupled reaction NUTRASWEET CO (US) 1991-10-23 CN disclosed
EP-0416272-A1 Formed organosiloxanaminpolycondensates, process for their preparation and their use Degussa Aktiengesellschaft (DE) 1991-03-13 EP disclosed
US-4315835-A MAGNESIUM GRIGNARD REAGENT AND TITANIUM COMPONENT MONTEDISON S.P.A. (IT) 1982-02-16 US disclosed
US-4220554-A MAGNESIUM-TITANIUM CATALYST MONTEDISON S.P.A. (IT) 1980-09-02 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 (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-20070100142-A1 Reacting 1-amino-2-hydroxy-indene with a first protecting group containing a leaving group, followed by acetylation to prepare a protected intermediate, reacting with trifluoromethyl substituted ketone, then with metal oxide, hydrolysis, esterification, reaction with amino-picoline ALDH7A1, AADAT, ALDH18A1 TSHR 2349/4885ALDH1A1 73/4885LTA4H 1184/4885

“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.