1,6-Hexanediol

1,6-Hexanediol

SCHEMBL5137115

CCCCCCCCCCCCC(CCCCCCCCCC)CC(=O)O.OCCCCCCO

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 9/20 0.58
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
PPARD Q03181 3/20 0.46
MAPT P10636 1/20 0.46
LCK P06239 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
TLR2 O60603 1/20 0.43

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
1,6-Hexanediol SCHEMBL5137145 1.00 GPR84 (0.58) GPR84LMNAALDH1A1TSHRHSD17B10
SCHEMBL7202803 1.00 GPR84 (0.58) GPR84LMNAALDH1A1TSHRHSD17B10
1,6-Hexanediol SCHEMBL5137134 1.00 GPR84 (0.58) GPR84LMNAALDH1A1TSHRHSD17B10
1,6-Hexanediol SCHEMBL5137760 1.00 GPR84 (0.58) GPR84LMNAALDH1A1TSHRHSD17B10
SCHEMBL5203381 0.94 GPR84 (0.55) GPR84LMNAALDH1A1TSHRHSD17B10
Ethylene Glycol SCHEMBL5137218 0.94 GPR84 (0.60) GPR84LMNAALDH1A1TSHRHSD17B10
Ethylene Glycol SCHEMBL5138346 0.94 GPR84 (0.60) GPR84LMNAALDH1A1TSHRHSD17B10
Ethylene Glycol SCHEMBL5136577 0.94 GPR84 (0.60) GPR84LMNAALDH1A1TSHRHSD17B10
Ethylene Glycol SCHEMBL5137927 0.94 GPR84 (0.60) GPR84LMNAALDH1A1TSHRHSD17B10
SCHEMBL5171531 0.92 GPR84 (0.58) GPR84LMNAALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402610-B2 Carbonyl compound containing long-chain branched alkyl group IDEMITSU KOSAN CO., LTD. (JP) 2008-07-22 US disclosed
US-20070282123-A1 Carbonyl Compound Containing Long-Chain Branched Alkyl Group IDEMITSU KOSAN CO., LTD (JP) 2007-12-06 US disclosed
EP-1710225-A1 CARBONYL COMPOUND CONTAINING LONG-CHAIN BRANCHED ALKYL GROUP IDEMITSU KOSAN CO., LTD. (JP) 2006-10-11 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-20070282123-A1 Carbonyl Compound Containing Long-Chain Branched Alkyl Group HSD17B12, ALOX15, LSS GPR84 888/4885LMNA 273/4885ALDH1A1 519/4885

“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.