Toluene

Toluene

SCHEMBL5179765

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

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
TSHR P16473 2/20 0.52
ALOX12 P18054 1/20 0.52
ACHE P22303 1/20 0.52
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
ALOX5 P09917 2/20 0.44
PARP1 P09874 2/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42

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 SCHEMBL28185890 0.86 LMNA (0.48) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL27819683 0.85 LMNA (0.58) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL27527983 0.85 LMNA (0.58) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL27595596 0.85 LMNA (0.65) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL11518095 0.85 LMNA (0.65) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL1360632 0.85 LMNA (0.65) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL27885366 0.83 LMNA (0.55) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL4119715 0.83 LMNA (0.55) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL27517251 0.83 LMNA (0.55) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL28894006 0.82 LMNA (0.61) 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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-110225945-A Composition and film 大金工业株式会社 2019-09-10 CN disclosed
EP-3510033-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS Novartis AG (CH) 2019-07-17 EP disclosed
US-20190211009-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. 2019-07-11 US disclosed
CN-109722082-A Coating composition 株式会社E-TEC 2019-05-07 CN disclosed
CN-108779208-A Polymer, composition, coating film, laminate, back sheet, and solar cell module 大金工业株式会社 2018-11-09 CN disclosed
US-6458803-B1 COMPOSITIONS AND METHODS FOR TREATING ATHEROSCLEROSIS AND OTHER CORONARY ARTERY DISEASES. PREFERRED TERTIARY-HETEROALKYLAMINE COMPOUNDS ARE SUBSTITUTED N-PHENYL-N-HETEROARALKYL AMINOALCOHOLS. A PREFERRED SPECIFIC G.D. SEARLE & CO. 2002-10-01 US disclosed
US-6458852-B1 A METHOD OF TREATING OR PREVENTING A CETP-MEDIATED DISORDER IN A SUBJECT BY ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF FOR CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. 2002-10-01 US disclosed
US-6458849-B1 METHOD OF TREATING OR PREVENTING A CEIP-MEDIATED DISORDER IN A SUBJECT BY ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND FOR STROKES G.D. SEARLE & CO. 2002-10-01 US disclosed
US-6455519-B1 TREATING ATHEROSCLEROSIS AND CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. 2002-09-24 US disclosed
US-6451830-B1 Use of substituted N,N-disubstituted non-fused heterocyclo amino compounds for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2002-09-17 US disclosed
US-6451823-B1 Use of substituted N-phenoxy-N-phenyl aminoalcohol compounds for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2002-09-17 US disclosed
US-6448295-B1 TREATING CARDIOVASCULAR DISEASE; ATHEROSCLEROSIS, DYSLIPIDEMA HYPERCHOLESTEROLAEMIA; DECREASING CONCENTRATIONS OF LOW DENSITY LIPOPROTEIN AND RAISING LEVEL OF HIGH DENSITY LIPOPROTEIN G.D. SEARLE & CO. 2002-09-10 US disclosed
US-20020120011-A1 Substituted N, N-disubstituted diamino compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-08-29 US disclosed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP disclosed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 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 (4 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-20210101902-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS TLR3, TLR1, TLR4 LMNA 2514/4885TSHR 1798/4885ALOX12 3446/4885
US-20190211009-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS TLR3, TLR1, TLR4 LMNA 2514/4885TSHR 1798/4885ALOX12 3446/4885
US-20020120011-A1 Substituted N, N-disubstituted diamino compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, PCTP, DBI LMNA 1443/4885TSHR 4131/4885ALOX12 2025/4885
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.