Ethylbenzene

Ethylbenzene

SCHEMBL3241973

C(OCC1CO1)C1CO1.CCc1ccccc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 3/20 0.47
GLA P06280 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MGLL Q99685 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 3/20 0.42
CYP3A4 P08684 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL7772965 0.86 MEN1 (0.51) TDP1ALDH1A1GLAMEN1KMT2A
Diphenylmethane SCHEMBL2464629 0.85 MGLL (0.59) TP53TDP1ALDH1A1GLAMEN1
SCHEMBL170098 0.83 TDP1 (0.53) TP53TDP1ALDH1A1GLAMEN1
SCHEMBL16993434 0.83 LMNA (0.55) TDP1ALDH1A1GLAMEN1KMT2A
Butylbenzyl SCHEMBL332884 0.83 MEN1 (0.56) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL4436621 0.82 ALDH1A1 (0.42) TP53TDP1ALDH1A1GLAMEN1
SCHEMBL5078949 0.82 ALDH1A1 (0.42) TP53TDP1ALDH1A1GLAMEN1
SCHEMBL332938 0.82 MEN1 (0.55) TDP1ALDH1A1MEN1KMT2AMGLL
Benzyl Alcohol SCHEMBL14889734 0.81 TSHR (0.52) TP53TDP1ALDH1A1GLAMEN1
SCHEMBL21715829 0.81 SMN1; SMN2 (0.44) TP53TDP1ALDH1A1GLAMEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3054225-A None JP disclosed
EP-1184364-B1 COMB-SHAPED DIOL, WATER-SOLUBLE POLYURETHANE, AND USE THEREOF MITSUI CHEMICALS INC (JP) 2010-07-28 EP disclosed
US-6646093-B2 Extruding auxiliary for cement materials, a mortar thickening agent, an underwater concrete thickening agent, a ceramics forming binder and a moisturizer for hair cosmetics; water and shape retention. MITSUI CHEMICALS, INC. (JP) 2003-11-11 US disclosed
US-6515050-B1 An extruding auxiliary using the above novel water-soluble polyurethane; additive for underwater concrete MITSUI CHEMICALS, INC. (JP) 2003-02-04 US disclosed
US-20020045724-A1 Water-souluble polyurthane having comb-shaped hydrophobic group and application thereof MITSUI TAKEDA CHEMICALS, INC. (JP) 2002-04-18 US disclosed
EP-1184364-A1 COMB-SHAPED DIOL, WATER-SOLUBLE POLYURETHANE, AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2002-03-06 EP disclosed
US-5928393-A ESTERIFIED, ALKOXYLATED TERTIARY AMINE COMPOUND; DETERGENT ANTISLUDGE/ANTIDEPOSIT AGENT FOR INTERNAL COMBUSTION ENGINES NIPPON OIL CO., LTD. (JP) 1999-07-27 US disclosed
EP-0819753-A1 Fuel additive NIPPON OIL CO. LTD. (JP) 1998-01-21 EP disclosed
JP-H0354225-A PHENYLALKYLGLYCIDYL ETHER ADDITION PRODUCT CIBA GEIGY AG 1991-03-08 JP disclosed
US-3953604-A INHALATION, ANTI-ASTHMA MILES LABORATORIES, INC. (US) 1976-04-27 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 (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-20020045724-A1 Water-souluble polyurthane having comb-shaped hydrophobic group and application thereof BMI1, ASH2L, HAT1 TP53 1660/4885TDP1 3094/4885ALDH1A1 804/4885

“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.