Toluene

Toluene

SCHEMBL8513838

CCCC(=O)OCC.Cc1ccccc1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
CYP4F2 P78329 3/20 0.53
CYP4A11 Q02928 3/20 0.53
TOP2A P11388 2/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.47
MAPT P10636 2/20 0.47
ALOX5 P09917 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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 SCHEMBL10526783 0.90 CYP4F2 (0.49) SMN1; SMN2CYP4F2CYP4A11TOP2AKMT2A
P-Xylene SCHEMBL29008697 0.90 CYP4F2 (0.52) SMN1; SMN2CYP4F2CYP4A11TOP2AKMT2A
Toluene SCHEMBL28096369 0.89 CYP4F2 (0.61) SMN1; SMN2CYP4F2CYP4A11TOP2AKMT2A
Benzene SCHEMBL10883625 0.88 ALDH1A1 (0.52) SMN1; SMN2CYP4F2CYP4A11TOP2AKMT2A
Toluene SCHEMBL573822 0.87 CYP4F2 (0.56) SMN1; SMN2CYP4F2CYP4A11TOP2AKMT2A
Toluene SCHEMBL11727486 0.87 CYP4F2 (0.56) SMN1; SMN2CYP4F2CYP4A11TOP2AKMT2A
Phenol SCHEMBL27841259 0.87 SMN1; SMN2 (0.53) SMN1; SMN2CYP4F2CYP4A11TOP2AKMT2A
Toluene SCHEMBL242077 0.87 SMN1; SMN2 (0.57) SMN1; SMN2CYP4F2CYP4A11TOP2AKMT2A
Toluene SCHEMBL27711158 0.87 CYP1A2 (0.55) SMN1; SMN2CYP4F2CYP4A11TOP2AKMT2A
O-Xylene SCHEMBL30462319 0.86 CYP4F2 (0.54) SMN1; SMN2CYP4F2CYP4A11TOP2AKMT2A

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
CN-105607422-B Alkali-soluble resin, photosensitive resin composition containing same and application 奇美实业股份有限公司 2019-11-12 CN disclosed
CN-105425542-B Photosensitive resin composition for color filter and application thereof 奇美实业股份有限公司 2019-10-18 CN disclosed
CN-110073253-A Resin composition for color filter, method for producing resin composition for color filter, and color filter 昭和电工株式会社 2019-07-30 CN disclosed
CN-104698756-B Positive photosensitive resin composition, pattern forming method, thin film transistor array substrate and liquid crystal display device 奇美实业股份有限公司 2019-03-22 CN disclosed
CN-103076716-B Resin combination, photosensitive polymer combination, pad and display device 东京应化工业株式会社 2017-10-17 CN disclosed
US-8586505-B2 4-(3-butynyl)aminopyrimidine derivatives as pest control agents for agricultural and horticultural use SDS BIOTECH K. K. (JP) 2013-11-19 US disclosed
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use SDS BIOTECH K.K. (JP) 2012-05-31 US disclosed
EP-0120305-B1 METHOD OF MAKING MIXED ALIPHATIC/AROMATIC POLYCARBODIIMIDES UNION CARBIDE CORPORATION (US) 1986-08-13 EP disclosed
US-4587301-A CROSSLINKING AGENTS UNION CARBIDE CORPORATION (US) 1986-05-06 US disclosed
US-4487964-A USING PHOSPHOLENE OXIDE CATALYSTS UNION CARBIDE CORPORATION (US) 1984-12-11 US disclosed
EP-0120305-A1 Method of making mixed aliphatic/aromatic polycarbodiimides UNION CARBIDE CORPORATION (US) 1984-10-03 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 (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-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 SMN1; SMN2 4679/4885CYP4F2 108/4885CYP4A11 2063/4885

“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.