Toluene

Toluene

SCHEMBL4369643

Cc1ccccc1.O=C(Cl)C(=O)Cl

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
TSHR P16473 1/20 0.61
ALOX12 P18054 1/20 0.61
ACHE P22303 1/20 0.61
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.43
AKR1C3 P42330 1/20 0.43
POLB P06746 1/20 0.42
SRD5A2 P31213 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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 SCHEMBL27555376 0.92 LMNA (0.58) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL4861938 0.92 LMNA (0.65) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL124611 0.92 LMNA (0.65) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL1850918 0.92 LMNA (0.65) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL5127452 0.89 LMNA (0.61) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL28296329 0.85 LMNA (0.50) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL7355317 0.85 LMNA (0.73) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL2914390 0.85 LMNA (0.73) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL48134 0.85 LMNA (0.73) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL27369787 0.85 LMNA (0.73) LMNATSHRALOX12ACHECES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1343212-A Derivatives of monosaccharides as well adhesion inhibitors RANBAXY LAB LTD (IN) 2002-04-03 CN claimed
CN-103360444-B The new technique for synthesizing of antiparasitic agent selamectin ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2016-05-11 CN disclosed
CN-103237800-B Amide derivatives and use thereof MITSUBISHI TANABE PHARMA CORP. (JP) 2015-10-21 CN disclosed
CN-104271565-A Amide pyridine derivatives and use thereof MITSUBISHI TANABE PHARMA CORP 2015-01-07 CN disclosed
US-20090227798-A1 NOVEL PROCESSES FOR THE PREPARATION OF (R)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-09-10 US disclosed
CN-101412693-A 4-[1-hydroxy-1-(2,3-dimethoxyphenyl)methyl]piperidine and method for preparing corresponding piperidine thereby AVENTIS PHARMA INC (US) 2009-04-22 CN disclosed
CN-101333184-A Processes for the preparation of (r)-alpha-(2,3-dimethoxyphenyl)-1-(2-(4-fluorophenyl)ethyl)-4 piperidinemethanol AVENTIS PHARMA INC (US) 2008-12-31 CN disclosed
CN-100436415-C Process for the preparation of -alpha- (2, 3-dimethoxyphenyl) -1- [2- (4-fluorophenyl) ethyl ] -4-piperidinemethanol HOECHST PHARMACEUTICAL INC (US) 2008-11-26 CN disclosed
US-7332607-B2 Processes for the preparation of (R)-α-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol AVENTIS HOLDINGS INC. (US) 2008-02-19 US disclosed
US-20070265450-A1 NOVEL PROCESSES FOR THE PREPARATION OF (R)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
EP-1736469-A2 Processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-Fluorophenyl)ethyl]-4-piperidinemethanol Aventis Pharmaceuticals Inc. (US) 2006-12-27 EP disclosed
EP-1734037-A2 Processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol\ Aventis Pharmaceuticals Inc. (US) 2006-12-20 EP disclosed
US-20050261341-A1 Novel processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol AVENTIS PHARMACEUTICALS INC. (US) 2005-11-24 US disclosed
US-20050010051-A1 Novel processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol AVENTIS PHARMACEUTICALS INC. (US) 2005-01-13 US disclosed
US-20040210061-A1 Novel processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl) ethyl]-4-piperidinemethanol AVENTIS PHARMACEUTICALS INC. 2004-10-21 US disclosed
US-6713627-B2 FOR RECEPTOR ANTAGONISTS IN TREATMENT OF SCHIZOLPHRENIA, ANXIETY, VARIANT ANGINA, ANOREXIA VERVOSA, RAYNAUD'S PHENOMENON, INTERMITTENT CLAUDICATION, CORONARY OR PERIPHERAL VASOSPASMS, FIBROMYALGIA, CARDIAC ARRHYTHMIA'S, AND THROMBOSIS AVENTIS PHARMACEUTICALS INC. 2004-03-30 US disclosed
US-20020151717-A1 Novel processes for the preparation or (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol AVENTISUB II INC. 2002-10-17 US disclosed
EP-1192134-A2 PROCESSES FOR THE PREPARATION OF (R)-G(A)-(2,3-DIMETHOXYPHENYL)-1-(2-(4-FLUOROPHENYL)ETHYL)-4-PIPERIDINEMETHANOL Aventis Pharmaceuticals Inc. (US) 2002-04-03 EP disclosed
CN-1300280-A Process for the preparation of -alpha- (2, 3-dimethoxyphenyl) -1- [ 2- (4-fluorophenyl) ethyl ] -4-piperidinemethanol HOECHST PHARMA (US) 2001-06-20 CN disclosed
WO-1999046245-A2 PROCESSES FOR THE PREPARATION OF (R)-α- (2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL AVENTIS PHARMACEUTICALS INC. (US) 1999-09-16 WO 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 (6 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-20020151717-A1 Novel processes for the preparation or (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol CYP2E1, ADRM1, CBR1 LMNA 1255/4885TSHR 2297/4885ALOX12 2045/4885
US-20050261341-A1 Novel processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol CYP2E1, CYP1A1, ADRM1 LMNA 1389/4885TSHR 2326/4885ALOX12 2379/4885
US-20070265450-A1 NOVEL PROCESSES FOR THE PREPARATION OF (R)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL ADRM1, CYP2E1, OPRD1 LMNA 1596/4885TSHR 2133/4885ALOX12 2574/4885
US-20090227798-A1 NOVEL PROCESSES FOR THE PREPARATION OF (R)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL CYP2E1, CYP1A1, ADRM1 LMNA 1389/4885TSHR 2326/4885ALOX12 2379/4885
US-20040210061-A1 Novel processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl) ethyl]-4-piperidinemethanol CYP2E1, ADRM1, CYP1A1 LMNA 1373/4885TSHR 2244/4885ALOX12 1904/4885
US-20050010051-A1 Novel processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol CYP2E1, CYP1A1, ADRM1 LMNA 1389/4885TSHR 2326/4885ALOX12 2379/4885

“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.