Toluene

Toluene

SCHEMBL8907280

CC(=O)Cc1ccc(C)c(CC(C)=O)c1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
CTBP2 P56545 3/20 0.39
SLC22A12 Q96S37 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAOB P27338 1/20 0.36
SRD5A2 P31213 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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 SCHEMBL8994440 1.00 L3MBTL1 (0.41) L3MBTL1TDP1SMN1; SMN2LMNAMEN1
Toluene SCHEMBL1079482 1.00 L3MBTL1 (0.41) L3MBTL1TDP1SMN1; SMN2LMNAMEN1
Toluene SCHEMBL1159746 1.00 L3MBTL1 (0.41) L3MBTL1TDP1SMN1; SMN2LMNAMEN1
SCHEMBL7789892 0.90 POLB (0.42) L3MBTL1TDP1LMNAMEN1KMT2A
SCHEMBL2332010 0.85 SLC22A12 (0.44) TDP1SMN1; SMN2LMNAMEN1KMT2A
Toluene SCHEMBL1245378 0.83 L3MBTL1 (0.45) L3MBTL1TDP1SMN1; SMN2LMNAMEN1
Toluene SCHEMBL7782221 0.83 L3MBTL1 (0.45) L3MBTL1TDP1SMN1; SMN2LMNAMEN1
Toluene SCHEMBL1245372 0.83 L3MBTL1 (0.45) L3MBTL1TDP1SMN1; SMN2LMNAMEN1
Toluene SCHEMBL1078154 0.83 L3MBTL1 (0.45) L3MBTL1TDP1SMN1; SMN2LMNAMEN1
SCHEMBL210161 0.81 PKM (0.42) L3MBTL1LMNAMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11850334-B2 Immobilised biological entities CARMEDA AB (SE) 2023-12-26 US disclosed
US-20210379253-A1 IMMOBILISED BIOLOGICAL ENTITIES CARMEDA AB (SE) 2021-12-09 US disclosed
EP-3860670-A1 IMMOBILISED BIOLOGICAL ENTITIES Carmeda AB (SE) 2021-08-11 EP disclosed
WO-2020070258-A1 IMMOBILISED BIOLOGICAL ENTITIES CARMEDA AB (SE) 2020-04-09 WO disclosed
EP-3292125-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2019-09-04 EP disclosed
US-10183943-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections MUTABILIS (FR) 2019-01-22 US disclosed
US-20180093985-A1 Heterocyclic Compounds and Their Use in Preventing or Treating Bacterial Infections MUTABILIS (FR) 2018-04-05 US disclosed
EP-3292125-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS Mutabilis (FR) 2018-03-14 EP disclosed
WO-2016177862-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2016-11-10 WO disclosed
EP-3091018-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS Mutabilis (FR) 2016-11-09 EP disclosed
US-5625043-A ANTITUMOR CHEMOTHERAPY Priebe, Waldemar 1997-04-29 US disclosed
WO-1994020114-A1 ANTHRACYCLINES WITH UNUSUALLY HIGH ACTIVITY AGAINST CELLS RESISTANT TO DOXORUBICIN AND ITS ANALOGS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-09-15 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 (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-10183943-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections NQO1, PEPD, LCT L3MBTL1 1342/4885TDP1 3537/4885SMN1; SMN2 3965/4885
US-20180093985-A1 Heterocyclic Compounds and Their Use in Preventing or Treating Bacterial Infections NQO1, PEPD, LCT L3MBTL1 1342/4885TDP1 3537/4885SMN1; SMN2 3965/4885

“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.