Hexane

Hexane

SCHEMBL918202

CC(C)=O.CCCCCC.c1ccncc1

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
TDP1 Q9NUW8 3/20 0.43
NAPRT Q6XQN6 1/20 0.43
AKR1B1 P15121 1/20 0.42
NAAA Q02083 1/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 7/20 0.41
PPARD Q03181 7/20 0.41
PPARA Q07869 7/20 0.41
HDAC11 Q96DB2 5/20 0.41
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
FABP4 P15090 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 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 SCHEMBL5467271 0.88 AKR1B1 (0.46) TSHRTDP1NAPRTAKR1B1NAAA
Hexane SCHEMBL5964926 0.87 TSHR (0.56) TSHRTDP1NAPRTLMNAPOLB
Hexane SCHEMBL11222760 0.87 TSHR (0.56) TSHRTDP1NAPRTLMNAPOLB
Pyridine SCHEMBL27689622 0.85 TSHR (0.53) TSHRTDP1NAPRTLMNAMEN1
Tetradecane SCHEMBL27729242 0.85 TSHR (0.53) TSHRTDP1NAPRTLMNAMEN1
Heptane SCHEMBL5680251 0.85 TSHR (0.53) TSHRTDP1NAPRTLMNAMEN1
Dodecane SCHEMBL3262468 0.85 TSHR (0.53) TSHRTDP1NAPRTLMNAMEN1
Octane SCHEMBL11323035 0.85 TSHR (0.53) TSHRTDP1NAPRTLMNAMEN1
Hexadecane SCHEMBL27657619 0.85 TSHR (0.53) TSHRTDP1NAPRTLMNAMEN1
Hexanoate SCHEMBL15874538 0.85 AKR1B1 (0.67) TSHRTDP1AKR1B1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252919-B2 2′-hydroxy-protected ribonucleoside derivative and production method thereof KANEKA CORPORATION (JP) 2012-08-28 US disclosed
US-20110009609-A1 2'-HYDROXY-PROTECTED RIBONUCLEOSIDE DERIVATIVE AND PRODUCTION METHOD THEREOF KANEKA CORPORATION (JP) 2011-01-13 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-20110009609-A1 2'-HYDROXY-PROTECTED RIBONUCLEOSIDE DERIVATIVE AND PRODUCTION METHOD THEREOF RNASEL, RNASEH1, NUDT1 TSHR 3029/4885TDP1 1980/4885NAPRT 703/4885

“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.