Hexane

Hexane

SCHEMBL6274730

CC(C)=O.CCCCC.CCCCCC

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.56
CES2 O00748 5/20 0.56
TSHR P16473 6/20 0.54
LMNA P02545 1/20 0.54
AKR1B1 P15121 1/20 0.53
GPR84 Q9NQS5 6/20 0.50
PPARG P37231 6/20 0.50
PPARD Q03181 6/20 0.50
PPARA Q07869 6/20 0.50
HDAC11 Q96DB2 5/20 0.50
ALDH1A1 P00352 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
PTPN1 P18031 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MEN1 O00255 1/20 0.50
ESR1 P03372 1/20 0.50
ALOX15 P16050 1/20 0.50

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
Hexane SCHEMBL4790792 0.96 CES1 (0.59) CES1CES2TSHRAKR1B1GPR84
Hexane SCHEMBL16758656 0.96 CES1 (0.59) CES1CES2TSHRAKR1B1GPR84
Hexane SCHEMBL8899207 0.96 CES1 (0.59) CES1CES2TSHRAKR1B1GPR84
Hexane SCHEMBL114496 0.96 CES1 (0.59) CES1CES2TSHRAKR1B1GPR84
Hexane SCHEMBL16758658 0.96 CES1 (0.59) CES1CES2TSHRAKR1B1GPR84
Hexane SCHEMBL16758654 0.96 CES1 (0.59) CES1CES2TSHRAKR1B1GPR84
Hexane SCHEMBL9523900 0.96 CES1 (0.59) CES1CES2TSHRAKR1B1GPR84
Hexane SCHEMBL16758660 0.96 CES1 (0.59) CES1CES2TSHRAKR1B1GPR84
Hexane SCHEMBL3823541 0.96 CES1 (0.59) CES1CES2TSHRAKR1B1GPR84
Hexane SCHEMBL9523905 0.96 CES1 (0.59) CES1CES2TSHRAKR1B1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807627-B1 Anilide compounds as ACAT inhibitors KOWA CO (JP) 2005-12-28 EP disclosed
US-6825223-B2 ACYL COENZYME A CHOLESTEROL ACYLTRANSFERASE (ACAT) INHIBITORS; 2-SUBSTITUTED BENZIMIDAZOLE, BENZOXAZOLE, AND BENZOTHIAZOLES KOWA COMPANY, LTD. (JP) 2004-11-30 US disclosed
US-20020037910-A1 Novel anilide compounds and pharmaceutical compositions comprising them SHIBUYA KIMIYUKI (JP) 2002-03-28 US disclosed
US-6204278-B1 Anilide compounds, including use thereof in ACAT inhibitition KOWA COMPANY, LTD. (JP) 2001-03-20 US disclosed
EP-0807627-A2 Anilide compounds as ACAT inhibitors Kowa Company Ltd. (JP) 1997-11-19 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 (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-20020037910-A1 Novel anilide compounds and pharmaceutical compositions comprising them ACAT1, LCAT, SOAT1 CES1 98/4885CES2 1235/4885TSHR 2268/4885

“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.