Toluene

Toluene

SCHEMBL899669

C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cc1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.48
ALOX12 P18054 1/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1E P28566 1/20 0.34
S1PR3 Q99500 1/20 0.34
RECQL P46063 1/20 0.34
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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 SCHEMBL5492947 0.96 TSHR (0.44) TSHRLMNAALOX12ACHEALDH1A1
Toluene SCHEMBL5492949 0.92 TSHR (0.41) TSHRLMNAALOX12ACHEALDH1A1
O-Xylene SCHEMBL16581594 0.84 TSHR (0.46) TSHRLMNAALOX12ACHEALDH1A1
Benzene SCHEMBL9464137 0.81 KDM4E (0.30) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3941832 0.78 CYP3A4 (0.52) LMNAALDH1A1MEN1KMT2AKDM4E
Toluene SCHEMBL23491537 0.78 ACHE (0.79) TSHRLMNAALOX12ACHEMEN1
Cyclooctane SCHEMBL16909938 0.78 ACHE (0.79) TSHRLMNAALOX12ACHEMEN1
Toluene SCHEMBL598534 0.78 ACHE (0.79) TSHRLMNAALOX12ACHEMEN1
Toluene SCHEMBL1289937 0.78 ACHE (0.79) TSHRLMNAALOX12ACHEMEN1
Toluene SCHEMBL11529127 0.78 ACHE (0.79) TSHRLMNAALOX12ACHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11940704-B2 Organic compound, and electrochromic element, optical filter, image pickup apparatus, window, and electrochromic mirror containing the same CANON KABUSHIKI KAISHA (JP) 2024-03-26 US disclosed
CN-112771034-B Heteroaryl azole compound and pest control agent 日本曹达株式会社 2024-02-09 CN disclosed
CN-112930339-B (hetero) arylimidazole compound and pest control agent 日本曹达株式会社 2023-11-03 CN disclosed
CN-112830918-B Photochromic diarylethene compound with up-conversion luminescence property and application thereof 国家纳米科学中心 2022-05-03 CN disclosed
CN-112930339-A (hetero) arylimidazole compound and pest control agent 日本曹达株式会社 2021-06-08 CN disclosed
CN-112830918-A Photochromic diarylethene compound with up-conversion luminescence property and application thereof 国家纳米科学中心 2021-05-25 CN disclosed
US-20210109415-A1 ORGANIC COMPOUND, AND ELECTROCHROMIC ELEMENT, OPTICAL FILTER, IMAGE PICKUP APPARATUS, WINDOW, AND ELECTROCHROMIC MIRROR CONTAINING THE SAME CANON KABUSHIKI KAISHA (JP) 2021-04-15 US disclosed
WO-2020071304-A1 HETEROARYLAZOLE COMPOUND AND PEST CONTROL AGENT 日本曹達株式会社 2020-04-09 WO disclosed
CN-108137547-A It can be used as the heterocyclic compound of TNF α conditioning agent 百时美施贵宝公司 2018-06-08 CN disclosed
CN-102333757-B N-acyl anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD 2014-11-26 CN disclosed
US-8492582-B2 N-acyl anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-07-23 US disclosed
EP-2441753-A1 TETRACYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed
US-20120083488-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA 2012-04-05 US disclosed
CN-102333757-A N-acyl anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD 2012-01-25 CN disclosed
US-20110275797-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2011-11-10 US disclosed
EP-2385036-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2011-11-09 EP disclosed
CN-1106881-C Process for preparation of catalysts CIBA SC HOLDING AG (CH) 2003-04-30 CN disclosed
CN-1184003-A Process for preparation of catalysts CIBA GEIGY AG (CH) 1998-06-10 CN 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 (4 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-20120083488-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 TSHR 1860/4885LMNA 2777/4885ALOX12 2781/4885
US-20110275797-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF COL14A1, COL2A1, COL1A1 TSHR 3928/4885LMNA 546/4885ALOX12 781/4885
US-20210109415-A1 ORGANIC COMPOUND, AND ELECTROCHROMIC ELEMENT, OPTICAL FILTER, IMAGE PICKUP APPARATUS, WINDOW, AND ELECTROCHROMIC MIRROR CONTAINING THE SAME EML4, ARL1, APOL1 TSHR 3767/4885LMNA 2038/4885ALOX12 1982/4885
US-11940704-B2 Organic compound, and electrochromic element, optical filter, image pickup apparatus, window, and electrochromic mirror containing the same EML4, ARL1, APOL1 TSHR 3767/4885LMNA 2038/4885ALOX12 1982/4885

“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.