Toluene

Toluene

SCHEMBL1308697

Cc1ccccc1.O=C(O)CC1COCCO1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.40
KDM4E B2RXH2 3/20 0.39
PTGER4 P35408 2/20 0.39
BTK Q06187 1/20 0.38
GAA P10253 3/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR5A P47898 1/20 0.36
FEN1 P39748 1/20 0.36
HPGD P15428 1/20 0.36

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
Benzene SCHEMBL5878128 0.87 CHRM2 (0.41) ALDH1A1L3MBTL1THRBSMN1; SMN2MAPT
Toluene SCHEMBL28537188 0.85 NPC1 (0.41) ALDH1A1L3MBTL1THRBSMN1; SMN2MAPT
SCHEMBL323220 0.83 CHRM2 (0.44) ALDH1A1L3MBTL1THRBSMN1; SMN2MAPT
SCHEMBL322281 0.83 CHRM2 (0.44) ALDH1A1L3MBTL1THRBSMN1; SMN2MAPT
SCHEMBL323060 0.83 CHRM2 (0.44) ALDH1A1L3MBTL1THRBSMN1; SMN2MAPT
Water SCHEMBL4817063 0.82 CHRM2 (0.42) ALDH1A1L3MBTL1THRBSMN1; SMN2MAPT
SCHEMBL10306685 0.82 CHRM2 (0.42) ALDH1A1L3MBTL1THRBSMN1; SMN2MAPT
Isobutane SCHEMBL11057630 0.80 CHRM2 (0.43) ALDH1A1L3MBTL1THRBSMN1; SMN2MAPT
Toluene SCHEMBL7621320 0.80 HPGD (0.51) ALDH1A1SMN1; SMN2KDM4EGAARAB9A
SCHEMBL1426691 0.79 ALDH1A1 (0.46) ALDH1A1L3MBTL1THRBSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11845758-B2 Pharmaceutically effective compounds inhibiting selectively the myosin 2 isoforms PRINTNET KERESKEDELMI ÉS SZOLGÁLTATÓ KFT. (HU) 2023-12-19 US disclosed
EP-4276102-A2 PHARMACEUTICALLY EFFECTIVE COMPOUNDS INHIBITING SELECTIVELY THE MYOSIN 2 ISOFORMS Printnet Kereskedelmi és Szolgáltató Kft. (HU) 2023-11-15 EP disclosed
US-20230339959-A1 PHARMACEUTICALLY EFFECTIVE COMPOUNDS INHIBITING SELECTIVELY THE MYOSIN 2 ISOFORMS EÖTVÖS LORÁND TUDOMÁNYEGYETEM (HU) 2023-10-26 US disclosed
US-11746112-B2 Pharmaceutically effective compounds inhibiting selectively the myosin 2 isoforms EÖTVÖS LORÁND TUDOMÁNYEGYETEM (HU) 2023-09-05 US disclosed
EP-3781263-B1 PHARMACEUTICALLY EFFECTIVE COMPOUNDS INHIBITING SELECTIVELY THE MYOSIN 2 ISOFORMS PRINTNET KERESKEDELMI ES SZOLGALTATO KFT (HU) 2023-07-12 EP disclosed
US-20210087201-A1 PHARMACEUTICALLY EFFECTIVE COMPOUNDS INHIBITING SELECTIVELY THE MYOSIN 2 ISOFORMS EÖTVÖS LORÁND TUDOMÁNYEGYETEM (HU) 2021-03-25 US disclosed
EP-3781263-A2 PHARMACEUTICALLY EFFECTIVE COMPOUNDS INHIBITING SELECTIVELY THE MYOSIN 2 ISOFORMS Printnet Kereskedelmi és Szolgátató Kft. (HU) 2021-02-24 EP disclosed
US-8273890-B2 Thiophene-imidazopyridines 4SC AG (DE) 2012-09-25 US disclosed
US-8053473-B2 Antibacterial agent comprising 7, 10-dihydroxy-8(E)-octadecenoic acid KYUNG POOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2011-11-08 US disclosed
US-20100278833-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2010-11-04 US disclosed
US-4394515-A 10,11-Dihydro-11-oxodibenzo[b,f]thiepin compounds MERCK & CO., INC. (US) 1983-07-19 US disclosed
US-4372971-A Heterocyclic prostaglandin type compounds, medicaments containing them and processes for the preparation and use of these heterocyclic compounds and medicaments GRUENENTHAL GMBH (DE) 1983-02-08 US disclosed
EP-0069810-A1 Novel dibenzoxepins, their preparation, compositions containing them and the use of dibenzoxepins in the treatment of allergic conditions MERCK & CO. INC. (US) 1983-01-19 EP disclosed
EP-0000978-B1 7-AND 8-SUBSTITUTED -10,11-DIHYDRO-11-OXODIBENZO (B,F) THIEPIN DERIVATIVES, THEIR PRODUCTION AND THEIR PARMACEUTICAL COMPOSITIONS MERCK & CO. INC. (US) 1982-09-15 EP disclosed
US-4322422-A Oxalylated amidinohydrazones, method for preparing same and use as insect and fire ant control agents AMERICAN CYANAMID CO. (US) 1982-03-30 US disclosed
US-4282365-A Dibenz[b,e]oxepin compounds MERCK & CO., INC. (US) 1981-08-04 US disclosed
US-4278763-A Diagnostic agents for the detection of proteolytic enzymes BOEHRINGER MANNHEIM GMBH (DE) 1981-07-14 US disclosed
US-4263207-A ANTIALLERGENS MERCK & CO., INC. (US) 1981-04-21 US disclosed
EP-0011067-A1 Prostaglandin antagonists, their production and their pharmaceutical compositions MERCK & CO. INC. (US) 1980-05-28 EP disclosed
EP-0000978-A1 7-and 8-substituted -10,11-dihydro-11-oxodibenzo (b,f) thiepin derivatives, their production and their parmaceutical compositions MERCK & CO. INC. (US) 1979-03-07 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-11845758-B2 Pharmaceutically effective compounds inhibiting selectively the myosin 2 isoforms MYH2, MYLK2, MYO1B ALDH1A1 2854/4885L3MBTL1 4080/4885THRB 1682/4885
US-20100278833-A1 THIOPHENE-IMIDAZOPYRIDINES PIKFYVE, PIP4K2B, PIP5K1B ALDH1A1 3695/4885L3MBTL1 3200/4885THRB 2553/4885
US-20210087201-A1 PHARMACEUTICALLY EFFECTIVE COMPOUNDS INHIBITING SELECTIVELY THE MYOSIN 2 ISOFORMS MYH2, MYLK2, MYO1B ALDH1A1 2854/4885L3MBTL1 4080/4885THRB 1682/4885
US-11746112-B2 Pharmaceutically effective compounds inhibiting selectively the myosin 2 isoforms MYH2, MYLK2, MYO1B ALDH1A1 2854/4885L3MBTL1 4080/4885THRB 1682/4885
US-20230339959-A1 PHARMACEUTICALLY EFFECTIVE COMPOUNDS INHIBITING SELECTIVELY THE MYOSIN 2 ISOFORMS MYH2, MYLK2, MYO1B ALDH1A1 2854/4885L3MBTL1 4080/4885THRB 1682/4885

“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.