Hexane

Hexane

SCHEMBL3513719

C1CCOC1.CCCCCC.CO

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 5/20 0.41
LMNA P02545 3/20 0.41
CES2 O00748 4/20 0.39
CES1 P23141 4/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
AKR1B1 P15121 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
HSD17B10 Q99714 2/20 0.36
PPARG P37231 3/20 0.36
PPARD Q03181 3/20 0.36
PPARA Q07869 3/20 0.36
GPR84 Q9NQS5 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 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
Heptane SCHEMBL21580605 0.97 TSHR (0.44) ALDH1A1TSHRLMNACES2CES1
Nonane SCHEMBL9452411 0.97 TSHR (0.44) ALDH1A1TSHRLMNACES2CES1
Hexane SCHEMBL224276 0.94 ALDH1A1 (0.53) ALDH1A1TSHRLMNACES2CES1
Hexane SCHEMBL22134480 0.94 ALDH1A1 (0.53) ALDH1A1TSHRLMNACES2CES1
Hexane SCHEMBL5237862 0.94 ALDH1A1 (0.53) ALDH1A1TSHRLMNACES2CES1
Hexane SCHEMBL14895621 0.94 ALDH1A1 (0.53) ALDH1A1TSHRLMNACES2CES1
Hexane SCHEMBL4247386 0.92 ALDH1A1 (0.44) ALDH1A1TSHRLMNACES2CES1
Hexane SCHEMBL5304985 0.91 ALDH1A1 (0.50) ALDH1A1TSHRLMNACES2CES1
Heptane SCHEMBL538473 0.91 TSHR (0.50) ALDH1A1TSHRLMNACES2CES1
Octane SCHEMBL4626385 0.91 TSHR (0.50) ALDH1A1TSHRLMNACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117717800-A Extraction pressure-swing rectification method for separating and recovering methanol-tetrahydrofuran-n-hexane system 青岛科技大学 2024-03-19 CN claimed
CN-104892551-B A kind of method of separating-purifying 10-deacetylate baccatin III from Ramulus et folium taxi cuspidatae 井冈山大学 2016-08-17 CN claimed
CN-117717800-A Extraction pressure-swing rectification method for separating and recovering methanol-tetrahydrofuran-n-hexane system 青岛科技大学 2024-03-19 CN disclosed
CN-117717800-A Extraction pressure-swing rectification method for separating and recovering methanol-tetrahydrofuran-n-hexane system 青岛科技大学 2024-03-19 CN disclosed
CN-117717800-A Extraction pressure-swing rectification method for separating and recovering methanol-tetrahydrofuran-n-hexane system 青岛科技大学 2024-03-19 CN disclosed
EP-2087795-B1 METHOD OF IMPROVING SALMON MEAT COLOR AND A FEED FOR CULTIVATING SALMON NIPPON OIL CORP (JP) 2018-12-05 EP disclosed
CN-104892551-B A kind of method of separating-purifying 10-deacetylate baccatin III from Ramulus et folium taxi cuspidatae 井冈山大学 2016-08-17 CN disclosed
US-8999664-B2 Method of improving salmon meat color JX NIPPON OIL & ENERGY CORPORATION (JP) 2015-04-07 US disclosed
US-20100319077-A1 METHOD OF IMPROVING SALMON MEAT COLOR NIPPON OIL CORPORATION (JP) 2010-12-16 US disclosed
US-7622450-B2 Flavone C-glycoside derivatives and compositions containing the derivatives SUNTORY HOLDINGS LIMITED (JP) 2009-11-24 US disclosed
EP-2087795-A1 METHOD OF IMPROVING SALMON MEAT COLOR Nippon Oil Corporation (JP) 2009-08-12 EP disclosed
US-20050288237-A1 Novel derivative of flavone c-glycoside and composition containing the same SUNTORY HOLDINGS LIMITED (JP) 2005-12-29 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-20050288237-A1 Novel derivative of flavone c-glycoside and composition containing the same FCER2, CMA1, TSLP ALDH1A1 4029/4885TSHR 4871/4885LMNA 4527/4885

“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.