1,3-Butanediol

1,3-Butanediol

SCHEMBL2030316

CC(O)CCO.OCCCCCC(O)C(O)CCO

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.44
TRPA1 O75762 1/20 0.44
SPHK1 Q9NYA1 2/20 0.39
LMNA P02545 3/20 0.36
CYP2D6 P10635 2/20 0.36
MAPT P10636 2/20 0.36
GMNN O75496 1/20 0.36
POLB P06746 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
BLM P54132 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CETP P11597 1/20 0.36
HTT P42858 1/20 0.36
UBE2N P61088 1/20 0.36
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL18038633 0.91 TRPV1 (0.48) TRPV1TRPA1SPHK1LMNACYP2D6
SCHEMBL11508064 0.88 TRPV1 (0.46) TRPV1TRPA1SPHK1LMNACYP2D6
SCHEMBL11346601 0.88 TRPV1 (0.42) TRPV1TRPA1SPHK1LMNACYP2D6
1,3-Butanediol SCHEMBL28244301 0.88 TSHR (0.43) TRPV1TRPA1LMNAALDH1A1HSD17B10
1,6-Hexanediol SCHEMBL2190350 0.88 TSHR (0.43) TRPV1TRPA1LMNAALDH1A1HSD17B10
1,5-Pentanediol SCHEMBL6423642 0.88 TSHR (0.43) TRPV1TRPA1LMNAALDH1A1HSD17B10
SCHEMBL4954833 0.86 TRPV1 (0.42) TRPV1TRPA1SPHK1LMNACYP2D6
1,3-Butanediol SCHEMBL8093341 0.85 TDP1 (0.44) TRPV1TRPA1LMNAALDH1A1HSD17B10
SCHEMBL4425494 0.85 THRB (0.38) TRPV1TRPA1SPHK1LMNACYP2D6
1,3-Butanediol SCHEMBL1415145 0.85 TDP1 (0.44) TRPV1TRPA1LMNAALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481773-B2 Volatile cyclic siloxanes DOW CORNING CORPORATION (US) 2013-07-09 US disclosed
US-20120276026-A1 Volatile Cyclic Siloxanes DOW SILICONES CORPORATION 2012-11-01 US disclosed
EP-2504345-A1 VOLATILE CYCLIC SILOXANES Dow Corning Corporation (US) 2012-10-03 EP disclosed
WO-2011071698-A1 VOLATILE CYCLIC SILOXANES DOW CORNING CORPORATION (US) 2011-06-16 WO disclosed
WO-2011066359-A1 PERSONAL CARE COMPOSITIONS CONTAINING CERTAIN CYCLIC SILOXANES DOW CORNING CORPORATION (US) 2011-06-03 WO 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-20120276026-A1 Volatile Cyclic Siloxanes CCNB2, CCNA2, CCND2 TRPV1 3381/4885TRPA1 966/4885SPHK1 1641/4885

“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.