Toluene

Toluene

SCHEMBL1508677

Cc1ccccc1.N=C=O.N=C=O.O=C=NCCCCCCN=C=O

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
ACHE P22303 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NAAA Q02083 4/20 0.39
MIF P14174 3/20 0.39
KEAP1 Q14145 6/20 0.35
NFE2L2 Q16236 6/20 0.35
SCN5A Q14524 2/20 0.33
SCN2A Q99250 2/20 0.33
KIF11 P52732 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C19 P33261 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
Toluene SCHEMBL27815423 0.94 LMNA (0.44) LMNATSHRALOX12ACHEMAOA
Toluene SCHEMBL28180326 0.94 LMNA (0.44) LMNATSHRALOX12ACHEMAOA
P-Xylene SCHEMBL11139632 0.91 ACHE (0.32) LMNATSHRACHEMAOAMAOB
M-Xylene SCHEMBL6517014 0.88 ACHE (0.41) ACHEMAOAMAOBNAAAKEAP1
Toluene SCHEMBL27719471 0.85 LMNA (0.50) LMNATSHRALOX12ACHEMIF
Toluene SCHEMBL28100339 0.84 LMNA (0.38) LMNATSHRALOX12ACHEMAOA
Diphenylmethane SCHEMBL3882710 0.82 NAAA (0.46) LMNATSHRMAOAMAOBNAAA
Anisole SCHEMBL19987888 0.79 CA4 (0.47) ACHEMAOAMAOBMIFSCN5A
Toluene SCHEMBL29282579 0.79 LMNA (0.37) LMNATSHRALOX12ACHEMAOA
Biphenyl SCHEMBL2353895 0.79 NAAA (0.44) LMNATSHRALOX12MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003736-A Preparation method of polyurethane binder for low-surface-energy film sandy ink 江苏景宏新材料科技有限公司 2023-04-25 CN claimed
CN-116003736-A Preparation method of polyurethane binder for low-surface-energy film sandy ink 江苏景宏新材料科技有限公司 2023-04-25 CN disclosed
EP-3852913-B1 AN AMINE FUNCTIONAL COMPOUND HAVING A URETHANE GROUP BYK CHEMIE GMBH (DE) 2022-10-19 EP disclosed
US-11382330-B2 Micro-encapsulation of an insecticide DOW GLOBAL TECHNOLOGIES LLC (US) 2022-07-12 US disclosed
US-20200375187-A1 MICRO-ENCAPSULATION OF AN INSECTICIDE DOW GLOBAL TECHNOLOGIES LLC (US) 2020-12-03 US disclosed
EP-2348063-B1 BIODEGRADABLE POLYESTERS AND PREPARING METHOD THEREOF KINGFA SCIENCE & TECHNOLOGY CO (CN) 2020-04-29 EP disclosed
US-20140255560-A1 GAS TRANSMITTING POLYURETHANE ADHESIVE H.B. FULLER COMPANY (US) 2014-09-11 US disclosed
US-8557945-B2 Kind of biodegradable polyester and its preparation method Kingfa Science & Technology Co., Ltd (CN) 2013-10-15 US disclosed
CN-103031051-A Preparation method of scratch-resistant bicomponent polyurethane carpentry matt varnish U S A UNION FOSHAN CHEMICAL CO LTD 2013-04-10 CN disclosed
CN-103013325-A Preparation method of scratch-resistant polyurethane matt black finish for woodware UNION FOSHAN CHEMICAL CO LTD 2013-04-03 CN disclosed
US-20110190468-A1 KIND OF BIODEGRADABLE POLYESTER AND ITS PREPARATION METHOD KINGFA SCIENCE & TECHNOLOGY CO., LTD. (CN) 2011-08-04 US disclosed
EP-2348063-A1 BIODEGRADABLE POLYESTERS AND PREPARING METHOD THEREOF Kingfa Science & Technology Co., Ltd. (CN) 2011-07-27 EP disclosed
US-7956115-B2 Phenyl acrylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-07 US disclosed
EP-2060558-B1 Phenyl acrylate derivatives and their use for producing optical films by means of photopolymerisation SUMITOMO CHEMICAL CO (JP) 2011-03-02 EP disclosed
EP-2060558-A1 Phenyl acrylate derivatives and their use for producing optical films by means of photopolymerisation Sumitomo Chemical Company, Limited (JP) 2009-05-20 EP disclosed
US-20090118407-A1 Phenyl acrylate SUMITOMO CHEMICAL COMPANY, LIMITED 2009-05-07 US disclosed
US-4362559-A Method of introducing addition agents into a metallurgical operation AMERICAN CYANAMID COMPANY (US) 1982-12-07 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 (3 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-20200375187-A1 MICRO-ENCAPSULATION OF AN INSECTICIDE DDT, CHRM2, C9 LMNA 2129/4885TSHR 1609/4885ALOX12 428/4885
US-20090118407-A1 Phenyl acrylate CRY1, ALKBH5, PAH LMNA 2516/4885TSHR 4597/4885ALOX12 1733/4885
US-11382330-B2 Micro-encapsulation of an insecticide DDT, CHRM2, C9 LMNA 2129/4885TSHR 1609/4885ALOX12 428/4885

“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.