Toluene

Toluene

SCHEMBL414372

CCOC(C)=O.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.61
▸ LMNA P02545 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ TSHR P16473 3/20 0.52
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ PIN1 Q13526 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ RAB9A P51151 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ RECQL P46063 1/20 0.44

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 SCHEMBL4248351 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL1996289 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL1532531 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL1159815 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL6346934 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL510300 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL1077296 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL8554033 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL21490912 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL856707 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11968893-B2 Electroluminescent device UDC IRELAND LIMITED (IE) 2024-04-23 — — US disclosed
US-20220216422-A1 Electroluminescent Device UDC IRELAND LTD (IE) 2022-07-07 — — US disclosed
CN-109641839-B Liquid crystal composition and liquid crystal display element 捷恩智株式会社 2022-07-01 — — CN disclosed
US-10336784-B2 Methods for modular synthesis of N-glycans and arrays thereof ACADEMIA SINICA (TW) 2019-07-02 — — US disclosed
CN-109641839-A Piperidine derivative, liquid-crystal composition and liquid crystal display element 捷恩智株式会社 2019-04-16 — — CN disclosed
US-20180269403-A1 ELECTROLUMINESCENT DEVICE UDC IRELAND LTD (IE) 2018-09-20 — — US disclosed
US-9923148-B2 Electroluminescent device UDC IRELAND LIMITED (IE) 2018-03-20 — — US disclosed
EP-2616883-B1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR, IMAGE FORMING METHOD, IMAGE FORMING APPARATUS, AND PROCESS CARTRIDGE RICOH CO LTD (JP) 2017-09-06 — — EP disclosed
US-20170194568-A9 Electroluminescent Device UDC IRELAND LIMITED (IE) 2017-07-06 — — US disclosed
CN-102876248-B Double-sided pressure-sensitive adhesive sheet NITTO DENKO CORP. (JP) 2016-01-13 — — CN disclosed
EP-0216259-B1 TRIAZINE DERIVATIVES, A PROCESS FOR PREPARATION OF THE DERIVATIVES, AND HERBICIDES CONTAINING THE DERIVATIVES AS THE EFFECTIVE COMPONENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-02-28 — — EP disclosed
US-4886814-A LOWER BLOOD SUGAR DR. KARL THOMAS GMBH (DE) 1989-12-12 — — US disclosed
EP-0167204-B1 METHOD FOR IMPROVING THE ABSORPTION AND EFFECTIVENESS OF A CATECHOLAMINE COMPOUND SIMES S.p.A. Società Italiana Medicinali e Sintetici (IT) 1989-09-27 — — EP disclosed
US-4844731-A HERBICIDES FOR RICE PADDYS IDEMITSU COMPANY CO., LTD. (JP) 1989-07-04 — — US disclosed
US-4843091-A Indolylpropionic acids, compositions of, and use thereof to inhibit thrombocyte aggregation BAYER AKTIENGESELLSCHAFT (DE) 1989-06-27 — — US disclosed
EP-0273328-A2 Triazine derivatives and herbicides containing said derivatives IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-07-06 — — EP disclosed
US-4740230-A Triazine derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-04-26 — — US disclosed
US-4673671-A CONVERSION TO MONO O-PHOSPHATE ESTER SIMES SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) 1987-06-16 — — US disclosed
EP-0216259-A1 Triazine derivatives, a process for preparation of the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-04-01 — — EP disclosed
EP-0167204-A1 Method for improving the absorption and effectiveness of a catecholamine compound SIMES S.p.A. Società Italiana Medicinali e Sintetici (IT) 1986-01-08 — — EP 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 (5 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-20180269403-A1 ELECTROLUMINESCENT DEVICE PNPO, ODC1, AXL ALDH1A1 436/4885LMNA 4324/4885HSD17B10 3539/4885
US-20220216422-A1 Electroluminescent Device PNPO, ODC1, AXL ALDH1A1 436/4885LMNA 4324/4885HSD17B10 3539/4885
US-10336784-B2 Methods for modular synthesis of N-glycans and arrays thereof SIGLEC7, SIGLEC9, CD4 ALDH1A1 3679/4885LMNA 4279/4885HSD17B10 3720/4885
US-20170194568-A9 Electroluminescent Device DPYD, PNPO, TYMP ALDH1A1 403/4885LMNA 3512/4885HSD17B10 3608/4885
US-11968893-B2 Electroluminescent device PNPO, ODC1, AXL ALDH1A1 436/4885LMNA 4324/4885HSD17B10 3539/4885

“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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