Toluene

Toluene

SCHEMBL9715675

CC(C)O.CCC(C)=O.Cc1ccccc1

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
ACHE P22303 1/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PGR P06401 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
HTR2A P28223 1/20 0.39

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 SCHEMBL170599 0.91 LMNA (0.55) LMNATSHRALOX12ACHEMEN1
Toluene SCHEMBL11241972 0.91 LMNA (0.55) LMNATSHRALOX12ACHEMEN1
Toluene SCHEMBL9639878 0.91 LMNA (0.55) LMNATSHRALOX12ACHEMEN1
Toluene SCHEMBL9640429 0.91 LMNA (0.55) LMNATSHRALOX12ACHEMEN1
Toluene SCHEMBL10621122 0.89 LMNA (0.52) LMNATSHRALOX12ACHEMEN1
Toluene SCHEMBL6905806 0.89 LMNA (0.52) LMNATSHRALOX12ACHEMEN1
Toluene SCHEMBL27517567 0.89 LMNA (0.52) LMNATSHRALOX12ACHEMEN1
Toluene SCHEMBL9798519 0.88 LMNA (0.46) LMNATSHRALOX12ACHEMEN1
Toluene SCHEMBL6867152 0.87 LMNA (0.55) LMNATSHRALOX12ACHEMEN1
Toluene SCHEMBL9203170 0.87 LMNA (0.55) LMNATSHRALOX12ACHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3702413-B1 PIGMENT DISPERSING AGENT, PIGMENT COMPOSITION, AND PIGMENT COLORING AGENT DAINICHISEIKA COLOR CHEM (JP) 2022-07-20 EP disclosed
US-10961227-B2 Pigment dispersing agent, pigment composition, and pigment coloring agent DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2021-03-30 US disclosed
US-20200377480-A1 PIGMENT DISPERSING AGENT, PIGMENT COMPOSITION, AND PIGMENT COLORING AGENT DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2020-12-03 US disclosed
EP-3702413-A1 PIGMENT DISPERSING AGENT, PIGMENT COMPOSITION, AND PIGMENT COLORING AGENT Dainichiseika Color & Chemicals Mfg. Co., Ltd. (JP) 2020-09-02 EP disclosed
CN-106029787-A Near-infrared-ray-reflective-transmissive azo pigment, method for producing near-infrared-ray-reflective-transmissive azo pigment, colorant composition using these azo pigments, method for coloring article, and colored article 大日精化工业株式会社 2016-10-12 CN disclosed
US-5115254-A Thermal transfer recording apparatus using a thermal transfer material and a recording medium MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1992-05-19 US disclosed
US-4908061-A Antifouling coating KANSAI PAINT CO., LTD. (JP) 1990-03-13 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 (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-10961227-B2 Pigment dispersing agent, pigment composition, and pigment coloring agent RB1, TYR, IK LMNA 2967/4885TSHR 3205/4885ALOX12 2772/4885
US-20200377480-A1 PIGMENT DISPERSING AGENT, PIGMENT COMPOSITION, AND PIGMENT COLORING AGENT TYR, PIM1, RB1 LMNA 2466/4885TSHR 3420/4885ALOX12 3771/4885

“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.