Toluene

Toluene

SCHEMBL3501801

Cc1ccc(CCO)cc1CCO.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
BACE1 P56817 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX5 P09917 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
ACHE P22303 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA2 P00918 1/20 0.35
IGF1R P08069 1/20 0.35
ALOX15 P16050 1/20 0.35

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 SCHEMBL2566595 1.00 TDP1 (0.45) TDP1BACE1KDM4EALDH1A1ALOX5
Toluene SCHEMBL4286321 1.00 TDP1 (0.45) TDP1BACE1KDM4EALDH1A1ALOX5
Toluene SCHEMBL7558595 1.00 TDP1 (0.45) TDP1BACE1KDM4EALDH1A1ALOX5
Toluene SCHEMBL9422293 0.85 BCHE (0.46) CYP4F2CYP4A11ACHEIGF1RALOX15
Toluene SCHEMBL8122669 0.82 TDP1 (0.48) TDP1BACE1KDM4EALDH1A1ALOX5
Toluene SCHEMBL9561498 0.82 TDP1 (0.48) TDP1BACE1KDM4EALDH1A1ALOX5
Toluene SCHEMBL7791344 0.82 TDP1 (0.48) TDP1BACE1KDM4EALDH1A1ALOX5
Toluene SCHEMBL3692883 0.79 TDP1 (0.65) TDP1CYP4F2CYP4A11TSHRLMNA
Toluene SCHEMBL1120065 0.79 TDP1 (0.65) TDP1CYP4F2CYP4A11TSHRLMNA
Toluene SCHEMBL2589614 0.79 TDP1 (0.65) TDP1CYP4F2CYP4A11TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024054840-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2024-03-14 WO disclosed
US-20100125059-A1 1-BIARYLAZETIDINONE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2010-05-20 US disclosed
EP-2133347-A1 1-BIARYLAZETIDINONE DERIVATIVES Teijin Pharma Limited (JP) 2009-12-16 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-20100125059-A1 1-BIARYLAZETIDINONE DERIVATIVE PCSK9, CYP46A1, HMGCR TDP1 2062/4885BACE1 578/4885KDM4E 1998/4885

“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.