Toluene

Toluene

SCHEMBL2353255

CC(Cl)(Cl)Cl.Cc1ccccc1

nearest known ligand 0.69

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.69
TSHR P16473 6/20 0.69
LMNA P02545 3/20 0.69
ALOX12 P18054 1/20 0.69
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
SMN1; SMN2 Q16637 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 SCHEMBL8845165 0.94 TSHR (0.69) ACHETSHRLMNAALOX12NPSR1
Toluene SCHEMBL4498352 0.90 TSHR (0.73) ACHETSHRLMNAALOX12NPSR1
Toluene SCHEMBL10989418 0.90
Toluene SCHEMBL11250184 0.87
Toluene SCHEMBL11348456 0.87
Toluene SCHEMBL31493144 0.87 ACHE (0.92) ACHETSHRLMNAALOX12NPSR1
Toluene SCHEMBL5141031 0.83
Toluene SCHEMBL7062875 0.83 ACHE (0.85) ACHETSHRLMNAALOX12NPSR1
Toluene SCHEMBL8938900 0.83 ACHE (1.00) ACHETSHRLMNAALOX12NPSR1
Toluene SCHEMBL4535818 0.83 ACHE (1.00) ACHETSHRLMNAALOX12NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426617-B2 Asymmetric hydrogenation of alkenes using chiral iridium complexes DSM IP ASSETS B.V. (NL) 2013-04-23 US disclosed
EP-1828159-B1 ASYMMETRIC HYDROGENATION OF ALKENES USING CHIRAL IRIDIUM COMPLEXES DSM IP ASSETS BV (NL) 2011-08-17 EP disclosed
US-20080039638-A1 Asymmetric Hydrogenation of Alkennes Using Chiral Iridium Complexes DSM IP ASSETS B.V. (NL) 2008-02-14 US disclosed
EP-1828159-A1 ASYMMETRIC HYDROGENATION OF ALKENES USING CHIRAL IRIDIUM COMPLEXES DSMIP Assets B.V. (NL) 2007-09-05 EP disclosed
WO-2006066863-A1 ASYMMETRIC HYDROGENATION OF ALKENNES USING CHIRAL IRIDIUM COMPLEXES DSM IP ASSETS B.V. (NL) 2006-06-29 WO disclosed
US-6048908-A POROUS CROSSLINKED ADDITION POLYMER MICROBEADS FOR ABSORBERS OR CARRIERS BIOPORE CORPORATION (US) 2000-04-11 US disclosed
US-4393103-A APPLYING AQUEOUS DISPERSION OF RIGID POLYMER, FILLER, AND ORGANIC TIN COMPOUND LOUDEN WILLIAM G 1983-07-12 US disclosed
US-4232083-A COLOR PRECURSOR, ACTIVATORS, FINGERPRINTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1980-11-04 US disclosed
US-4066802-A DECALCOMANIA, POLYMERIC PLASTICIZING MATERIAL XEROX CORPORATION (US) 1978-01-03 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-20080039638-A1 Asymmetric Hydrogenation of Alkennes Using Chiral Iridium Complexes SQLE, FADS1, FADS2 ACHE 1348/4885TSHR 3065/4885LMNA 4536/4885

“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.