Toluene

Toluene

SCHEMBL1405615

CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.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 SCHEMBL8981408 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL8533815 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL14353557 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL15348475 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL9466202 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL6453722 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL2479008 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL9305273 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL21490912 1.00 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL14353113 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 146 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023127507-A1 POWDERED PIGMENT COMPOSITION, METHOD FOR PRODUCING POWDERED PIGMENT COMPOSITION, RESIN COMPOSITION, AND MOLDED BODY DIC株式会社 2023-07-06 WO disclosed
CN-110724189-B (1-5) -Gal- (1-6) -Man glycoprotein and preparation method and application thereof 济南山目生物医药科技有限公司 2022-01-25 CN disclosed
EP-3059288-B1 RESIN COMPOSITION AND MOLDED ARTICLE DAINIPPON INK & CHEMICALS (JP) 2021-12-22 EP disclosed
US-11174258-B2 Benzimidazolo[1,2-a]benzimidazole derivatives for organic light emitting diodes IDEMITSU KOSAN CO., LTD. (JP) 2021-11-16 US disclosed
US-20210030895-A1 RESIN COMPOSITION AND MOLDED ARTICLE DIC CORPORATION (JP) 2021-02-04 US disclosed
US-20210024821-A1 RESIN COMPOSITION AND MOLDED ARTICLE DIC CORPORATION (JP) 2021-01-28 US disclosed
US-10865344-B2 Low molecular weight polar compound for homogeneously aligning liquid crystal medium, and liquid crystal medium containing same JNC CORPORATION (JP) 2020-12-15 US disclosed
US-10787608-B2 Liquid crystal display device including liquid crystal medium containing low molecular weight polar compound for homogeneously aligning liquid crystal medium JNC CORPORATION (JP) 2020-09-29 US disclosed
EP-3034580-B1 RESIN COMPOSITION AND MOLDED ARTICLE DAINIPPON INK & CHEMICALS (JP) 2020-04-29 EP disclosed
CN-110724189-A (1-5) -Gal- (1-6) -Man glycoprotein and preparation method and application thereof 济南山目生物医药科技有限公司 2020-01-24 CN disclosed
US-5213709-A Contains thiadiazole ring CANON KABUSHIKI KAISHA (JP) 1993-05-25 US disclosed
CN-1017892-B PURE ENANTIOMERS OF 4,5-DISUBSTITUTED R-BUTYROLACTAMS, PROCESS FOR THEIR PREPARATION AND THEIR USE BAYER AG (DE) 1992-08-19 CN disclosed
EP-0455219-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1991-11-06 EP disclosed
EP-0416946-A2 Optically active naphthalene derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-03-13 EP disclosed
US-4990508-A Reduced side effects TOYAMA CHEMICAL CO., LTD. (JP) 1991-02-05 US disclosed
EP-0395390-A1 Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-10-31 EP disclosed
EP-0383281-A1 1,2-ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1990-08-22 EP disclosed
US-4847287-A Pure enantiomers of 4,5-disubstituted gamma-butyrolactams, and their use as antiamnestic agents BAYER AG (DE) 1989-07-11 US disclosed
CN-87103770-A 4,5 two replace the pure enantiomorph of butyrolactam, their preparation method and application 1988-02-03 CN disclosed
US-4380644-A HYPOTENSIVE AGENTS TANABE SIYAKU CO., LTD. (JP) 1983-04-19 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 (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-11174258-B2 Benzimidazolo[1,2-a]benzimidazole derivatives for organic light emitting diodes KCNH2, KCNH3, KCNJ2 ALDH1A1 397/4885LMNA 979/4885HSD17B10 4182/4885
US-10787608-B2 Liquid crystal display device including liquid crystal medium containing low molecular weight polar compound for homogeneously aligning liquid crystal medium ACP1, MAPK1, PLD1 ALDH1A1 4001/4885LMNA 1958/4885HSD17B10 873/4885
US-20210030895-A1 RESIN COMPOSITION AND MOLDED ARTICLE IK, CBR3, RER1 ALDH1A1 643/4885LMNA 1854/4885HSD17B10 941/4885
US-10865344-B2 Low molecular weight polar compound for homogeneously aligning liquid crystal medium, and liquid crystal medium containing same ACP1, MFAP1, PHOSPHO1 ALDH1A1 4483/4885LMNA 1191/4885HSD17B10 1364/4885

“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.