1,4-Butanediol

1,4-Butanediol

SCHEMBL2168222

COc1c(F)c(F)cc(C(=O)O)c1F.O=S(=O)(O)c1c(F)c(F)c(F)c(F)c1F.OCCCCO

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 5/20 0.32
FABP5 Q01469 4/20 0.32
HSD17B10 Q99714 1/20 0.31
ACLY P53396 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPK1 P28482 1/20 0.30
ATM Q13315 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
Ethylene Glycol SCHEMBL2166957 0.95 FABP4 (0.33) FABP4FABP5HSD17B10ACLYKDM4E
1,4-Butanediol SCHEMBL2166784 0.90 FABP4 (0.36) FABP4FABP5HSD17B10ACLYKDM4E
SCHEMBL2168120 0.89 FABP4 (0.34) FABP4FABP5HSD17B10ACLYMEN1
1,4-Butanediol SCHEMBL2831393 0.88 HSD17B10 (0.38) HSD17B10KDM4EFFAR1FFAR4MEN1
SCHEMBL2168217 0.86 KMT2A (0.36) ALDH1A1MEN1KMT2AMAPK1
1,3-Propanediol SCHEMBL2834709 0.86 HSD17B10 (0.38) HSD17B10CYP2C9FFAR1FFAR4MEN1
Ethylene Glycol SCHEMBL2166684 0.84 FABP4 (0.38) FABP4FABP5HSD17B10ACLYKDM4E
Ethylene Glycol SCHEMBL2829965 0.83 HSD17B10 (0.40) HSD17B10CYP2C9MEN1KMT2AMAPK1
SCHEMBL2166953 0.82 KMT2A (0.33) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL607945 0.80 HSD17B10 (0.44) HSD17B10KDM4EALDH1A1CYP2C9HPGD

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-8383274-B2 Nonaqueous electrolyte solution for lithium battery, lithium battery using same, and formyloxy group-containing compound used therein UBE INDUSTRIES, LTD. (JP) 2013-02-26 US disclosed
US-20110183199-A1 NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN UBE INDUSTRIES, LTD. (JP) 2011-07-28 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 (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-20110183199-A1 NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN HCN2, KCNN2, KCNB1 FABP4 3859/4885FABP5 2585/4885HSD17B10 209/4885

“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.