Toluene

Toluene

SCHEMBL719989

COC(C)(C)C.Cc1ccccc1

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.61
TSHR P16473 4/20 0.61
LMNA P02545 2/20 0.61
ALOX12 P18054 1/20 0.61
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 2/20 0.40
CA4 P22748 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
CES1 P23141 2/20 0.36
CES2 O00748 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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 SCHEMBL6322420 0.93 ACHE (0.52) ACHETSHRLMNAALOX12ALDH1A1
Toluene SCHEMBL10624846 0.86 ACHE (0.58) ACHETSHRLMNAALOX12ALDH1A1
P-Xylene SCHEMBL19859054 0.85 ACHE (0.53) ACHETSHRLMNAALOX12ALDH1A1
Toluene SCHEMBL6431364 0.83 ACHE (0.61) ACHETSHRLMNAALOX12ALDH1A1
Toluene SCHEMBL9799867 0.82 ACHE (0.79) ACHETSHRLMNAALOX12ALDH1A1
Toluene SCHEMBL6068472 0.81 ACHE (0.58) ACHETSHRLMNAALOX12ALDH1A1
Toluene SCHEMBL7309310 0.81 TSHR (0.58) ACHETSHRLMNAALOX12ALDH1A1
Toluene SCHEMBL11594422 0.81 TSHR (0.58) ACHETSHRLMNAALOX12ALDH1A1
O-Xylene SCHEMBL3956566 0.80 TSHR (0.59) ACHETSHRALDH1A1MAPK1CA4
Toluene SCHEMBL7645369 0.78

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 168 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092768-A1 CRYSTAL FORM OF ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD FOR CRYSTAL FORM, AND USE OF CRYSTAL FORM XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-03-21 US claimed
CN-112218847-B Method for preparing iloprost 奇诺因药物和化学工厂私人有限公司 2024-03-08 CN claimed
EP-4282860-A1 CRYSTAL FORM OF ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD FOR CRYSTAL FORM, AND USE OF CRYSTAL FORM Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-11-29 EP claimed
WO-2022156737-A1 CRYSTAL FORM OF ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD FOR CRYSTAL FORM, AND USE OF CRYSTAL FORM 四川海思科制药有限公司 2022-07-28 WO claimed
CN-112218847-A Method for preparing iloprost 奇诺因药物和化学工厂私人有限公司 2021-01-12 CN claimed
US-8053572-B2 Alkyl-analide producing method BAYER CROPSCIENCE AG (DE) 2011-11-08 US claimed
US-20090209769-A1 Alkyl-Analide Producing Method BAYER CROPSCIENCE AG (DE) 2009-08-20 US claimed
CN-1179770-A Preparation of cis- 4 -0 -protected -2 -cyclopentenol derivatives HOECHST MARION ROUSSEL INC (US) 1998-04-22 CN claimed
US-5728899-A Preparation of cis-4-O-protected-2-cyclopentenol derivatives HOECHST MARION ROUSSEL INC. (US) 1998-03-17 US claimed
EP-0817764-A1 PREPARATION OF CIS-4-O-PROTECTED-2-CYCLOPENTENOL DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1998-01-14 EP claimed
WO-1996030320-A1 PREPARATION OF CIS-4-O-PROTECTED-2-CYCLOPENTENOL DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1996-10-03 WO claimed
EP-4400498-A1 AMORPHOUS SUBSTANCES, CRYSTALS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES OF THIOHYDANTOIN COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Suzhou Kintor Pharmaceuticals, Inc. (CN) 2024-07-17 EP disclosed
CN-114163323-B Synthesis method of 3-oxo-cyclobutanecarboxylic acid 大连双硼医药化工有限公司 2024-03-26 CN disclosed
US-20240092768-A1 CRYSTAL FORM OF ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD FOR CRYSTAL FORM, AND USE OF CRYSTAL FORM XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-03-21 US disclosed
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 CN disclosed
US-5185359-A N-phenoxphenyloxymethyl substituted azoles and method for controlling pests therewith BASF AKTIENGESELLSCHAFT (DE) 1993-02-09 US disclosed
US-5116860-A N-SUBSTITUTED AZOLES FOR COMBATING INSECTS, ARACHNIDS AND NEMATODES BASF AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed
EP-0471833-A1 METHOD FOR INCREASING THE ALPHA TO BETA RATIO IN AN ASPARTAME COUPLING REACTION. NUTRASWEET CO (US) 1992-02-26 EP disclosed
WO-1991013860-A1 METHOD FOR INCREASING THE ALPHA TO BETA RATIO IN AN ASPARTAME COUPLING REACTION THE NUTRASWEET COMPANY (US) 1991-09-19 WO disclosed
US-4943585-A N-substituted azoles and insecticide, arachnicide, and nematocide compositions thereof BASF AKTIENGESELLSCHAFT (DE) 1990-07-24 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-20240092768-A1 CRYSTAL FORM OF ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD FOR CRYSTAL FORM, AND USE OF CRYSTAL FORM ZC3HAV1, ZC3HAV1L, FMNL1 ACHE 4258/4885TSHR 1267/4885LMNA 408/4885
US-20090209769-A1 Alkyl-Analide Producing Method CYP51A1, CYP4X1, CYP2B6 ACHE 1708/4885TSHR 4472/4885LMNA 2861/4885

“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.