Toluene

Toluene

SCHEMBL288803

Cc1ccccc1.OBO

nearest known ligand 0.73

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 6/20 0.73
▸ TSHR P16473 2/20 0.73
▸ LMNA P02545 2/20 0.73
▸ ALOX12 P18054 1/20 0.73
▸ CES2 O00748 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.44
▸ HPGD P15428 2/20 0.43
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CA12 O43570 1/20 0.37

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 SCHEMBL9622812 0.89 — —
Toluene SCHEMBL5353703 0.86 ACHE (0.85) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL9720616 0.86 ACHE (0.85) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL352057 0.86 — —
Toluene SCHEMBL9672173 0.86 ACHE (0.85) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL9006971 0.86 ACHE (0.85) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL11010267 0.86 ACHE (0.85) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL28884246 0.86 ACHE (0.85) ACHETSHRLMNAALOX12CES2
SCHEMBL12344964 0.86 ACHE (1.00) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL10976206 0.86 ACHE (1.00) ACHETSHRLMNAALOX12CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113621215-B Preparation method of organic-inorganic hybrid biomass phenolic resin ablation-resistant material 哈尔滨工业大学 2024-02-09 — — CN claimed
CN-114230540-A Method for synthesizing alpha-BPDA 西安爱德克美新材料有限公司 2022-03-25 — — CN claimed
US-20140343137-A1 Stable Polymorphic Forms of Compound as Hypoxia Mimetics, and Uses Thereof BEIJING BETTA PHARMACEUTICALS CO., LTD. (CN) 2014-11-20 — — US claimed
EP-2736892-A1 STABLE POLYMORPHIC FORMS OF COMPOUND AS HYPOXIA MIMETICS, AND USES THEREOF Beijing Betta Pharmaceuticals Co., Ltd (CN) 2014-06-04 — — EP claimed
WO-2013017063-A1 STABLE POLYMORPHIC FORMS OF COMPOUND AS HYPOXIA MIMETICS, AND USES THEREOF ZHEJIANG BETA PHARMA INCORPORATION (CN) 2013-02-07 — — WO claimed
EP-0765331-B1 OXABOROLES AND SALTS THEREOF, AND THEIR USE AS BIOCIDES AVECIA LTD (GB) 2000-08-09 — — EP claimed
US-5880188-A PROTECTING MEDIUM SUSCEPTIBLE TO MICROBIAL ATTACK BY TREATING WITH SPECIFIED OXABOROLE COMPOUND ZENECA LIMITED (GB) 1999-03-09 — — US claimed
EP-0765331-A1 OXABOROLES AND SALTS THEREOF, AND THEIR USE AS BIOCIDES ZENECA LIMITED (GB) 1997-04-02 — — EP claimed
WO-1995033754-A1 OXABOROLES AND SALTS THEREOF, AND THEIR USE AS BIOCIDES ZENECA LIMITED (GB) 1995-12-14 — — WO claimed
CN-119264347-A Degradable flame-retardant phenolic aerogel and preparation method and application thereof 中车成型科技(青岛)有限公司 2025-01-07 — — CN disclosed
US-11723265-B2 Organic light emitting diode with high efficiency SFC CO., LTD. (KR) 2023-08-08 — — US disclosed
US-11370889-B2 Boroxine based dynamic thermosetting polymers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-28 — — US disclosed
CN-114230540-A Method for synthesizing alpha-BPDA 西安爱德克美新材料有限公司 2022-03-25 — — CN disclosed
US-11091504-B2 Process for the preparation of tavaborole, its novel polymorphic forms and the polymorphs thereof BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2021-08-17 — — US disclosed
WO-1998016486-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1998-04-23 — — WO disclosed
WO-1997031907-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1997-09-04 — — WO disclosed
EP-0765331-A1 OXABOROLES AND SALTS THEREOF, AND THEIR USE AS BIOCIDES ZENECA LIMITED (GB) 1997-04-02 — — EP disclosed
WO-1995033754-A1 OXABOROLES AND SALTS THEREOF, AND THEIR USE AS BIOCIDES ZENECA LIMITED (GB) 1995-12-14 — — WO disclosed
EP-0583383-B1 LIQUID DETERGENTS WITH AN ARYL BORONIC ACID PROCTER & GAMBLE (US) 1995-12-13 — — EP disclosed
US-5472628-A Aryl boronic acid THE PROCTER & GAMBLE COMPANY (US) 1995-12-05 — — 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-11091504-B2 Process for the preparation of tavaborole, its novel polymorphic forms and the polymorphs thereof HLA-B, VKORC1L1, VPS4B ACHE 4880/4885TSHR 4130/4885LMNA 3300/4885
US-20140343137-A1 Stable Polymorphic Forms of Compound as Hypoxia Mimetics, and Uses Thereof HIF1A, HIF1AN, COXFA4L2 ACHE 4798/4885TSHR 4733/4885LMNA 1398/4885

“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.

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