Toluene

Toluene

SCHEMBL3335898

CN(C)c1ccncc1.Cc1ccccc1

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.70
CHKA P35790 1/20 0.70
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TSHR P16473 5/20 0.52
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
ALOX15 P16050 2/20 0.48
CASP1 P29466 1/20 0.48
HBB P68871 1/20 0.48
LMNA P02545 2/20 0.48
ALOX12 P18054 1/20 0.48
ACHE P22303 1/20 0.48
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 3/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 2/20 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 SCHEMBL10432272 0.98 CHRM5 (0.67) CHRM5CHKAMAPTSMN1; SMN2TSHR
Toluene SCHEMBL2454660 0.89 CHRM5 (0.55) CHRM5CHKAMAPTSMN1; SMN2TSHR
SCHEMBL6199563 0.89 CHRM5 (0.80) CHRM5CHKAMAPTSMN1; SMN2TSHR
Benzene SCHEMBL28113160 0.89 CHRM5 (0.89) CHRM5CHKAMAPTSMN1; SMN2TSHR
Pyridine SCHEMBL1830428 0.84 CHRM5 (0.80) CHRM5CHKAMAPTSMN1; SMN2TSHR
Toluene SCHEMBL28313052 0.84 ALDH1A1 (0.65) CHRM5CHKASMN1; SMN2TSHRALDH1A1
SCHEMBL8664726 0.83 CHRM5 (1.00) CHRM5CHKAMAPTSMN1; SMN2TSHR
SCHEMBL189 0.83
Phosphine SCHEMBL23270013 0.81 CHRM5 (0.94) CHRM5CHKAMAPTSMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL9013636 0.81 CHRM5 (0.94) CHRM5CHKAMAPTSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108129385-B Composite quaternary ammonium salt nonlinear optical crystalline material and preparation method thereof 华南农业大学 2020-01-14 CN claimed
CN-108129385-B Composite quaternary ammonium salt nonlinear optical crystalline material and preparation method thereof 华南农业大学 2020-01-14 CN disclosed
CN-108129385-B Composite quaternary ammonium salt nonlinear optical crystalline material and preparation method thereof 华南农业大学 2020-01-14 CN disclosed
CN-105451772-A Polydendrons UNIV LIVERPOOL 2016-03-30 CN disclosed
CN-103124759-B Functional biodegradable polymers UNIV AKRON 2015-03-25 CN disclosed
US-20100145018-A1 Lipid-Polymer-Conjugates ASTELLAS PHARMA EUROPE BV (NL) 2010-06-10 US disclosed
EP-1392755-B1 LIPID-POLYMER-CONJUGATES COMPOSITIONS ASTELLAS PHARMA EUROP B V (NL) 2008-12-03 EP disclosed
US-20040254352-A1 Lipid-polymer-conjugates YAMANOUCHI EUROPE B.V. (NL) 2004-12-16 US disclosed
EP-1392756-A2 LIPID-POLYMER-CONJUGATES Yamanouchi Europe B.V. (NL) 2004-03-03 EP disclosed
EP-1392755-A1 LIPID-POLYMER-CONJUGATES COMPOSITIONS YAMANOUCHI EUROPE B.V. (NL) 2004-03-03 EP disclosed
WO-2002098951-A2 LIPID-POLYMER-CONJUGATES YAMANOUCHI EUROPE B.V. (NL) 2002-12-12 WO disclosed
WO-2002098952-A1 LIPID-POLYMER-CONJUGATES COMPOSITIONS YAMANOUCHI EUROPE B.V. (NL) 2002-12-12 WO disclosed
CN-1281355-A Biodegradable mixed polymeric micelles for gene delivery SAM YANG CO (KR) 2001-01-24 CN 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 (2 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-20100145018-A1 Lipid-Polymer-Conjugates PARG, GLUL, PHOSPHO1 CHRM5 4698/4885CHKA 854/4885MAPT 1792/4885
US-20040254352-A1 Lipid-polymer-conjugates PARG, GLUL, PARN CHRM5 4685/4885CHKA 798/4885MAPT 1748/4885

“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.