Toluene

Toluene

SCHEMBL2920071

Cc1ccc(F)c(F)c1F.Cc1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.35
NFE2L2 Q16236 2/20 0.34
HPGD P15428 1/20 0.33
KIF11 P52732 1/20 0.33
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
P2RX7 Q99572 1/20 0.31
POLB P06746 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL67359 0.85 ACHE (0.41) ACHEHTTCYP1A2NFE2L2HPGD
SCHEMBL29371061 0.85 ACHE (0.41) ACHEHTTCYP1A2NFE2L2HPGD
SCHEMBL175646 0.85 ACHE (0.41) ACHEHTTCYP1A2NFE2L2HPGD
1,2-Dichlorobenzene SCHEMBL19179804 0.80 TSHR (0.43) ACHETSHRLMNAHTTCYP1A2
Methylene Chloride SCHEMBL15412127 0.76 ACHE (0.35) ACHEHTTHPGDCES2CES1
Chloroform SCHEMBL1547931 0.76 ACHE (0.35) ACHEHPGDCES2CES1PTGS2
Toluene SCHEMBL21412786 0.75 ACHE (0.69) ACHETSHRLMNAALOX12CYP1A2
SCHEMBL30064 0.74 ACHE (0.42) ACHETSHRHTTCYP1A2HPGD
Toluene SCHEMBL4307943 0.73 ACHE (0.79) ACHETSHRLMNAALOX12NFE2L2
Toluene SCHEMBL4535818 0.71 ACHE (1.00) ACHETSHRLMNAALOX12HTT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193346-B2 Process for making macrocyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-06-05 US claimed
EP-2224920-A1 PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2010-09-08 EP claimed
US-20090156800-A1 PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-18 US claimed
WO-2009073780-A1 PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-06-11 WO claimed
EP-3736138-B1 MULTI-LAYER IMAGING BLANKET AND VARIABLE DATA LITHOGRAPHY SYSTEM XEROX CORP (US) 2023-03-08 EP disclosed
EP-4126862-A1 PROCESS FOR PREPARING A COT INHIBITOR COMPOUND GILEAD SCIENCES, INC. (US) 2023-02-08 EP disclosed
US-11230135-B2 Multi-layer imaging blanket XEROX CORPORATION (US) 2022-01-25 US disclosed
WO-2021202688-A1 PROCESS FOR PREPARING A COT INHIBITOR COMPOUND GILEAD SCIENCES, INC. (US) 2021-10-07 WO disclosed
US-20200353770-A1 MULTI-LAYER IMAGING BLANKET XEROX CORPORATION (US) 2020-11-12 US disclosed
EP-3736138-A1 MULTI-LAYER IMAGING BLANKET Xerox Corporation (US) 2020-11-11 EP disclosed
US-20190322114-A1 MULTI-LAYER BLANKET XEROX CORPORATION 2019-10-24 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-20090156800-A1 PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS PREP, HCCS, PEPD ACHE 1387/4885TSHR 3416/4885LMNA 2680/4885

“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.