Heptane

Heptane

SCHEMBL2346183

CCCCCCC.CCOC(=O)CCO.CCOC(C)=O.CCOC(C)=O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
HSD17B10 Q99714 1/20 0.52
DGKA P23743 1/20 0.50
PRKCA P17252 3/20 0.47
PAM P19021 2/20 0.46
CYP1A2 P05177 1/20 0.46
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
KDM4E B2RXH2 1/20 0.45
DUSP3 P51452 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.43
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCD Q05655 1/20 0.42

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
Heptane SCHEMBL15968770 1.00 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10DGKAPRKCA
Hexane SCHEMBL2346139 0.98 ALDH1A1 (0.54) ALDH1A1LMNAHSD17B10DGKAPRKCA
Hexane SCHEMBL5329217 0.98 ALDH1A1 (0.54) ALDH1A1LMNAHSD17B10DGKAPRKCA
Ethyl Acetate SCHEMBL3483756 0.96 DGKA (0.56) ALDH1A1LMNAHSD17B10DGKAPRKCA
Ethyl Acetate SCHEMBL3310609 0.96 DGKA (0.56) ALDH1A1LMNAHSD17B10DGKAPRKCA
Heptane SCHEMBL200855 0.92 DGKA (0.57) ALDH1A1LMNADGKAPRKCAPAM
Tetradecane SCHEMBL9947966 0.92 DGKA (0.57) ALDH1A1LMNADGKAPRKCAPAM
Ethyl Acetate SCHEMBL15417972 0.90 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10CYP1A2MGAM
Ethyl Acetate SCHEMBL14630991 0.90 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10CYP1A2MGAM
Ethyl Acetate SCHEMBL1260460 0.90 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10CYP1A2MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125829-B1 BICYCLIC OXOMORPHOLINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2013-01-16 EP disclosed
US-8008293-B2 Bicyclic oxomorpholine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-30 US disclosed
US-7737141-B2 such as -{4-{1-[(S)-1-(4-fluorophenyl)ethyl]-2-oxopiperidin-(3E)-ylidenemethyl}-2-methoxyphenyl}-5-methyl-1-(phosphonooxymethyl)-3H-imidazol-1-ium trifluoroacetate, which inhibit the synthesis of amyloid precursor proteins; treatment of Alzheimer's disease, Down syndrome or amyloidosis EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-06-15 US disclosed
US-20100113773-A1 BICYCLIC OXOMORPHOLINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-05-06 US disclosed
CN-101622258-A Bicyclic oxomorpholine derivatives EISAI R&D MAN CO LTD 2010-01-06 CN disclosed
CN-101472913-A Prodrugs of cinnamide compounds EISAI R&D MAN CO LTD (JP) 2009-07-01 CN disclosed
EP-2048143-A1 PRODRUG OF CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
US-20090048213-A1 Prodrug of cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2009-02-19 US disclosed
US-20080207900-A1 TWO CYCLIC OXOMORPHORIN DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-28 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 (3 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-20080207900-A1 TWO CYCLIC OXOMORPHORIN DERIVATIVES OPRM1, OPRK1, OPRD1 ALDH1A1 2062/4885LMNA 3886/4885HSD17B10 2178/4885
US-20100113773-A1 BICYCLIC OXOMORPHOLINE DERIVATIVE OPRM1, OPRK1, OPRD1 ALDH1A1 1360/4885LMNA 3017/4885HSD17B10 1928/4885
US-20090048213-A1 Prodrug of cinnamide compound BTK, CNKSR1, AKT1 ALDH1A1 674/4885LMNA 803/4885HSD17B10 2464/4885

“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.