Toluene

Toluene

SCHEMBL136711

CC(=O)N(C)C.Cc1ccccc1

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
ALOX12 P18054 1/20 0.55
ACHE P22303 1/20 0.55
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
RAB9A P51151 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
TSPO P30536 2/20 0.43
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
AKR1C3 P42330 1/20 0.41
MAPT P10636 1/20 0.41
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39

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 SCHEMBL27587127 0.87 LMNA (0.58) LMNATSHRALOX12ACHECES2
P-Xylene SCHEMBL6214884 0.87 ALDH1A1 (0.50) LMNATSHRACHECES2CES1
Toluene SCHEMBL9815765 0.84 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL19715122 0.84 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL10799413 0.84 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL10941235 0.84 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL9689391 0.84 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL5776784 0.84 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL10604374 0.84 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL9176449 0.84 LMNA (0.69) 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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI (FR) 2012-03-08 US claimed
EP-2406254-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI (FR) 2012-01-18 EP claimed
WO-2010104193-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-16 WO claimed
US-20090203915-A1 Process for the preparation of solifenacin DIPHARMA FRANCIS S.R.L. (IT) 2009-08-13 US claimed
EP-2088148-A2 \"Process for the preparation of solifenacin\ Dipharma Francis S.r.l. (IT) 2009-08-12 EP claimed
CN-115215886-A Compounds and compositions as endosomal Toll-like receptor inhibitors 诺华股份有限公司 2022-10-21 CN disclosed
CN-109641899-B Compounds and compositions as endosomal Toll-like receptor inhibitors 诺华股份有限公司 2022-07-22 CN disclosed
EP-3510033-B1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS NOVARTIS AG (CH) 2021-11-24 EP disclosed
US-20210101902-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS NOVARTIS AG (CH) 2021-04-08 US disclosed
US-10954233-B2 Compounds and compositions as inhibitors of endosomal toll-like receptors NOVARTIS AG (CH) 2021-03-23 US disclosed
US-10815227-B2 Processes for the preparation of filgotinib CADILA HEALTHCARE LIMITED (IN) 2020-10-27 US disclosed
US-20200062744-A1 PROCESSES FOR THE PREPARATION OF FILGOTINIB CADILA HEALTHCARE LIMITED (IN) 2020-02-27 US disclosed
EP-0845464-A2 S type 2-substituted hydroxy-2-indolidinylbutyric ester compounds as intermediates for camptothecin derivatives TANABE SEIYAKU CO., LTD. (JP) 1998-06-03 EP disclosed
WO-1993025521-A1 ARYL ALIPHATIC ACIDS BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1993-12-23 WO disclosed
US-5231329-A Organic thin film electroluminescent device NIPPON OIL CO., LTD. (JP) 1993-07-27 US disclosed
US-5166283-A Polymers for use in electronic components and semiconductors HITACHI LTD. (JP) 1992-11-24 US disclosed
EP-0295381-A1 Polymer having dihydropyridine rings or dihydrotriazine rings, process for producing the same, and applications thereof HITACHI, LTD. (JP) 1988-12-21 EP disclosed
EP-0130270-B1 EPOXY COMPOSITIONS CONTAINING OLIGOMERIC DIAMINE HARDENERS AND HIGH STRENGTH COMPOSITES THEREFROM AMOCO CORPORATION (US) 1987-07-29 EP disclosed
US-4608404-A Epoxy compositions containing oligomeric diamine hardeners and high strength composites therefrom UNION CARBIDE CORPORATION (US) 1986-08-26 US disclosed
EP-0130270-A1 Epoxy compositions containing oligomeric diamine hardeners and high strength composites therefrom AMOCO CORPORATION (US) 1985-01-09 EP 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-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF HRH4, HNMT, CYP3A4 LMNA 2935/4885TSHR 510/4885ALOX12 3530/4885
US-10815227-B2 Processes for the preparation of filgotinib ABL1, FER, FLNA LMNA 2131/4885TSHR 1637/4885ALOX12 986/4885
US-20200062744-A1 PROCESSES FOR THE PREPARATION OF FILGOTINIB ABL1, FER, FLNA LMNA 2131/4885TSHR 1637/4885ALOX12 986/4885
US-20210101902-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS TLR3, TLR1, TLR4 LMNA 2514/4885TSHR 1798/4885ALOX12 3446/4885
US-20090203915-A1 Process for the preparation of solifenacin OPRL1, CHRNE, OPRK1 LMNA 2712/4885TSHR 1564/4885ALOX12 4801/4885
US-10954233-B2 Compounds and compositions as inhibitors of endosomal toll-like receptors TLR3, TLR1, TLR4 LMNA 2514/4885TSHR 1798/4885ALOX12 3446/4885

“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.