Toluene

Toluene

SCHEMBL6453722

CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.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 SCHEMBL1405615 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 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3553097-B1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORP (JP) 2022-05-04 EP disclosed
US-11225540-B2 Copolymer and optical film using same TOSOH CORPORATION (JP) 2022-01-18 US disclosed
CN-110248971-B Copolymer and optical film using the same 东曹株式会社 2021-11-02 CN disclosed
US-20200095358-A1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORPORATION (JP) 2020-03-26 US disclosed
EP-3553097-A1 COPOLYMER AND OPTICAL FILM USING SAME Tosoh Corporation (JP) 2019-10-16 EP disclosed
CN-110248971-A Copolymer and the optical film for using the copolymer 东曹株式会社 2019-09-17 CN disclosed
EP-1237897-B1 ANTITHROMBOTIC COMPOUND MERCK SHARP & DOHME (NL) 2015-01-14 EP disclosed
CN-102639525-A Benzo[c]carbazole compound that has substituent bearing pyridine ring, and organic electroluminescent element JNC CORP 2012-08-15 CN disclosed
CN-1195767-C Antithrombotic compound AKZO NOBEL NV (FR) 2005-04-06 CN disclosed
US-6875755-B2 Antithrombotic compound AKZO NOBEL N.V. (NL) 2005-04-05 US disclosed
US-20030114361-A1 Antithrombotic compound MERCK SHARP & DOHME B.V. (NL) 2003-06-19 US disclosed
CN-1407989-A Antithrombotic compound AKZO NOBEL NV (NL) 2003-04-02 CN disclosed
EP-1237897-A2 ANTITHROMBOTIC COMPOUND Akzo Nobel N.V. (NL) 2002-09-11 EP disclosed
US-6258803-B1 11-ETHYL-17-HYDROXY-19-NORPREGN-4-EN-20-YN-3-ONE FOR MENOPAUSE TREATMENT AKZO NOBEL N.V. (NL) 2001-07-10 US disclosed
WO-2001042262-A2 ANTITHROMBOTIC COMPOUND AKZO NOBEL N.V. (NL) 2001-06-14 WO disclosed
US-6037339-A METHOD FOR TREATING OSTEOPOROSIS AKZO NOBEL N.V. (NL) 2000-03-14 US disclosed
US-5710144-A OSTEOPOROSIS AKZO NOBEL N.V. (NL) 1998-01-20 US disclosed
EP-0682672-A1 STEROIDS FOR TREATING MENOPAUSAL COMPLAINTS Akzo Nobel N.V. (NL) 1995-11-22 EP disclosed
WO-1994018224-A1 STEROIDS FOR TREATING MENOPAUSAL COMPLAINTS AKZO NOBEL N.V. (NL) 1994-08-18 WO 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 (1 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-20030114361-A1 Antithrombotic compound SERPINC1, ADAMTS13, F2 ALDH1A1 2049/4885LMNA 2774/4885HSD17B10 850/4885

“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.