Toluene

Toluene

SCHEMBL1538084

CCCCC(=O)Cc1cccc(F)c1.Cc1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CNR2 P34972 2/20 0.47
VNN1 O95497 1/20 0.45
LTB4R2 Q9NPC1 3/20 0.41
SRC P12931 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CTBP2 P56545 1/20 0.40

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
SCHEMBL1538128 0.92 VNN1 (0.50) CNR2VNN1LTB4R2
SCHEMBL1463377 0.84 CTBP2 (0.50) TDP1L3MBTL1CTBP2
SCHEMBL11080103 0.82 VNN1 (0.52) CNR2VNN1
SCHEMBL8618254 0.79 TDP1 (0.53) TDP1L3MBTL1CNR2MEN1KMT2A
SCHEMBL330291 0.79 TDP1 (0.56) TDP1L3MBTL1CNR2MEN1KMT2A
SCHEMBL14041753 0.79 HDAC3 (0.49) MEN1KMT2AALDH1A1CTBP2
SCHEMBL11178482 0.77 SRC (0.55) CNR2VNN1SRCMEN1KMT2A
Toluene SCHEMBL27604708 0.77 CES2 (0.53) TDP1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL6223832 0.77 VNN1 (0.50) VNN1
SCHEMBL8498964 0.76 VNN1 (0.48) VNN1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966146-B1 4,5-DIHYDRO- (1H)-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR MODULATORS ABBOTT HEALTHCARE PRODUCTS BV (NL) 2011-03-02 EP disclosed
EP-1966146-A1 4,5-DIHYDRO- (1H)-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR MODULATORS Solvay Pharmaceuticals B.V. (NL) 2008-09-10 EP disclosed
WO-2007071662-A1 4,5-DIHYDRO- (1H)-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR MODULATORS SOLVAY PHARMACEUTICALS B.V. (NL) 2007-06-28 WO disclosed
US-20070142362-A1 4,5-Dihydro-(1H)-pyrazole derivatives as cannabinoid CB1 receptor modulators SOLVAY PHARMACEUTICALS B.V. 2007-06-21 US 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-20070142362-A1 4,5-Dihydro-(1H)-pyrazole derivatives as cannabinoid CB1 receptor modulators CNR1, CNR2, GPR55 TDP1 4528/4885L3MBTL1 4854/4885CNR2 2/4885

“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.