Toluene

Toluene

SCHEMBL1289937

C1CCCCC1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.79
TSHR P16473 2/20 0.79
LMNA P02545 2/20 0.79
ALOX12 P18054 1/20 0.79
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 2/20 0.46
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C19 P33261 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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 SCHEMBL1289945 1.00 ACHE (0.79) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL11529127 1.00 ACHE (0.79) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL48006 1.00 ACHE (0.79) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL598534 1.00 ACHE (0.79) ACHETSHRLMNAALOX12TDP1
Cyclooctane SCHEMBL16909938 1.00 ACHE (0.79) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL23491537 1.00 ACHE (0.79) ACHETSHRLMNAALOX12TDP1
P-Xylene SCHEMBL9750677 0.97 ACHE (0.73) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL4429042 0.89 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL175861 0.89 ACHE (1.00) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL4535818 0.89 ACHE (1.00) ACHETSHRLMNAALOX12TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079872-B2 Phenanthro[9, 10-B]furans for electronic applications BASF SE (DE) 2015-07-14 US disclosed
EP-2625171-B1 PHENANTHRO[9,10-B]FURANS FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2014-07-30 EP disclosed
EP-2625171-A1 PHENANTHRO[9,10-B]FURANS FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2013-08-14 EP disclosed
US-20120095222-A1 PHENANTHRO[9, 10-B]FURANS FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2012-04-19 US disclosed
WO-2012045710-A1 PHENANTHRO[9,10-B]FURANS FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2012-04-12 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 (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-20120095222-A1 PHENANTHRO[9, 10-B]FURANS FOR ELECTRONIC APPLICATIONS P2RY10, P2RY11, P2RY12 ACHE 1510/4885TSHR 4738/4885LMNA 2662/4885

“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.