Hexane

Hexane

SCHEMBL4557975

CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC(CC(C)=O)CC(C)=O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
GPR84 Q9NQS5 7/20 0.47
CA1 P00915 2/20 0.45
FFAR1 O14842 2/20 0.45
MAPT P10636 1/20 0.43
LCK P06239 1/20 0.43
PPARD Q03181 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
CA2 P00918 2/20 0.42
FDPS P14324 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ACE2 Q9BYF1 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
Hexane SCHEMBL8676368 1.00 LMNA (0.50) LMNAGPR84CA1FFAR1MAPT
Hexane SCHEMBL2810416 1.00 LMNA (0.50) LMNAGPR84CA1FFAR1MAPT
SCHEMBL9365266 1.00 LMNA (0.50) LMNAGPR84CA1FFAR1MAPT
Hexane SCHEMBL299439 1.00 LMNA (0.50) LMNAGPR84CA1FFAR1MAPT
SCHEMBL15347870 0.98 LMNA (0.54) LMNAGPR84CA1FFAR1MAPT
SCHEMBL6274726 0.95 LMNA (0.50) LMNAGPR84CA1FFAR1MAPT
SCHEMBL17676315 0.93 LMNA (0.54) LMNAGPR84CA1FFAR1MAPT
SCHEMBL5014419 0.93 LMNA (0.54) LMNAGPR84CA1FFAR1MAPT
SCHEMBL13938058 0.93 LMNA (0.54) LMNAGPR84CA1FFAR1MAPT
SCHEMBL17676311 0.93 LMNA (0.54) LMNAGPR84CA1FFAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576203-B2 Method for producing cyclic diamine derivative KOWA CO., LTD. (JP) 2009-08-18 US disclosed
US-20080045714-A1 Method for Producing Cyclic Diamine Derivative KOWA CO., LTD (JP) 2008-02-21 US disclosed
EP-1767527-A1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE Kowa Co., Ltd. (JP) 2007-03-28 EP disclosed
EP-0807627-B1 Anilide compounds as ACAT inhibitors KOWA CO (JP) 2005-12-28 EP 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 (2 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 LMNA 4719/4885GPR84 1518/4885CA1 3276/4885
US-20080045714-A1 Method for Producing Cyclic Diamine Derivative SAT1, ACAT2, NAT1 LMNA 3999/4885GPR84 4356/4885CA1 528/4885

“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.