1,3-Propanediol

1,3-Propanediol

SCHEMBL2834709

COc1c(F)c(F)cc(C(=O)O)c1F.COc1c(F)c(F)cc(C(=O)O)c1F.OCCCO

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PRKAB2 O43741 2/20 0.34
PRKAG1 P54619 2/20 0.34
PRKAA2 P54646 2/20 0.34
PRKAA1 Q13131 2/20 0.34
PRKAG3 Q9UGI9 2/20 0.34
PRKAG2 Q9UGJ0 2/20 0.34
PRKAB1 Q9Y478 2/20 0.34
TPMT P51580 1/20 0.34
PKM P14618 1/20 0.34

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 SCHEMBL2831393 0.97 HSD17B10 (0.38) HSD17B10MEN1KMT2AFFAR1FFAR4
Ethylene Glycol SCHEMBL2829965 0.94 HSD17B10 (0.40) HSD17B10MEN1KMT2AMAPTLMNA
SCHEMBL607945 0.90 HSD17B10 (0.44) HSD17B10MEN1KMT2AMAPTLMNA
1,4-Butanediol SCHEMBL2166784 0.90 FABP4 (0.36) HSD17B10MEN1KMT2AFFAR1FFAR4
SCHEMBL27927680 0.89 HSD17B10 (0.43) HSD17B10MEN1KMT2AMAPTLMNA
Methylene Chloride SCHEMBL28420789 0.87 HSD17B10 (0.40) HSD17B10MEN1KMT2AMAPTLMNA
Ethylene Glycol SCHEMBL2166684 0.87 FABP4 (0.38) HSD17B10MEN1KMT2ASMN1; SMN2GFER
SCHEMBL2838557 0.86 HSD17B10 (0.37) HSD17B10MEN1KMT2AFFAR1FFAR4
1,4-Butanediol SCHEMBL2168222 0.86 FABP4 (0.32) HSD17B10MEN1KMT2AFFAR1FFAR4
Propylene Glycol SCHEMBL2834441 0.85 HSD17B10 (0.36) HSD17B10MEN1KMT2AFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263268-B2 Ester compound, and non-aqueous electrolyte solution and lithium secondary battery each using the ester compound UBE INDUSTRIES, LTD. (JP) 2012-09-11 US disclosed
EP-2108640-B1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND UBE INDUSTRIES (JP) 2012-07-25 EP disclosed
US-20100119955-A1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND UBE INDUSTRIES, LTD. (JP) 2010-05-13 US disclosed
EP-2108640-A1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND Ube Industries, Ltd. (JP) 2009-10-14 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-20100119955-A1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND CEL, LAGE3, PEF1 HSD17B10 254/4885MEN1 2371/4885KMT2A 1023/4885

“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.