1,4-Butanediol

1,4-Butanediol

SCHEMBL565263

C=CC.C=CC.C=CC.OCCCCO

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SQLE Q14534 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
1,4-Butanediol SCHEMBL6334524 1.00 SMN1; SMN2 (0.47) SMN1; SMN2TSHRLMNAALDH1A1HSD17B10
1,4-Butanediol SCHEMBL5903369 1.00
1,4-Butanediol SCHEMBL10941995 0.96 SMN1; SMN2 (0.44) SMN1; SMN2TSHRLMNAALDH1A1HSD17B10
1,6-Hexanediol SCHEMBL29249024 0.96 TSHR (0.50) SMN1; SMN2TSHRLMNAALDH1A1HSD17B10
Propene SCHEMBL28542606 0.96 TSHR (0.50) SMN1; SMN2TSHRLMNAALDH1A1HSD17B10
1,4-Butanediol SCHEMBL1425714 0.96 SMN1; SMN2 (0.44) SMN1; SMN2TSHRLMNAALDH1A1HSD17B10
1,4-Butanediol SCHEMBL5429731 0.96 SMN1; SMN2 (0.44) SMN1; SMN2TSHRLMNAALDH1A1HSD17B10
1,6-Hexanediol SCHEMBL21353993 0.96 TSHR (0.50) SMN1; SMN2TSHRLMNAALDH1A1HSD17B10
1,6-Hexanediol SCHEMBL22977579 0.96 TSHR (0.50) SMN1; SMN2TSHRLMNAALDH1A1HSD17B10
1,6-Hexanediol SCHEMBL16970400 0.93 TSHR (0.47) SMN1; SMN2TSHRLMNAALDH1A1HSD17B10

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-20140037713-A1 TRANSDERMAL COMPOSITIONS FOR ANTI-CHOLINERGIC AGENTS ANTARES PHARMA IPL, AG (CH) 2014-02-06 US disclosed
US-20120035385-A1 SELECTING CATALYST AND CONDITIONS RINARD CHAUNCEY J (US) 2012-02-09 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-20120035385-A1 SELECTING CATALYST AND CONDITIONS ALG3, MMS19, CAD SMN1; SMN2 2175/4885TSHR 4586/4885LMNA 1506/4885

“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.