1,3-Propanediol

1,3-Propanediol

SCHEMBL4129045

CCOC(C)OCC.OCCCO

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.67
ALDH1A1 P00352 3/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33

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
Butyl Alcohol SCHEMBL8042983 0.90 LMNA (0.60) LMNAALDH1A1THRBSMN1; SMN2HSD17B10
Ethylene Glycol SCHEMBL356222 0.88 LMNA (0.75) LMNAALDH1A1THRBTSHR
SCHEMBL10434124 0.87 LMNA (0.57) LMNAALDH1A1THRBSMN1; SMN2HSD17B10
Propanol SCHEMBL8131034 0.86 LMNA (0.71) LMNAALDH1A1THRBSMN1; SMN2HSD17B10
Octanol SCHEMBL6324775 0.85 LMNA (0.59) LMNAALDH1A1THRBSMN1; SMN2HSD17B10
Alcohol SCHEMBL1490179 0.85 LMNA (0.80) LMNAALDH1A1THRBTSHR
Methyl Alcohol SCHEMBL5434659 0.82 LMNA (0.86) LMNATHRBTSHR
SCHEMBL9459 0.82
SCHEMBL2094168 0.82 LMNA (1.00) LMNATHRB
Ethylene Glycol SCHEMBL9004515 0.81 LMNA (0.63) LMNAALDH1A1THRB

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200172560-A1 PROCESS FOR PREPARATION OF CRISABOROLE GLENMARK LIFE SCIENCES LIMITED (IN) 2020-06-04 US disclosed
WO-2018224923-A1 PROCESS FOR PREPARATION OF CRISABOROLE GLENMARK PHARMACEUTICALS LIMITED (IN) 2018-12-13 WO disclosed
EP-2537839-B1 B-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING B-DIHYDROFURAN DERIVING COMPOUND OR B-TETRAHYDROFURAN DERIVING COMPOUND, B -GLYCOSIDE COMPOUND, METHOD FOR PRODUCING B-GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF NISSAN CHEMICAL IND LTD (JP) 2016-12-14 EP disclosed
US-9212174-B2 Certain β-dihydrofuran derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-15 US disclosed
EP-2537851-B1 PROCESS FOR PREPARATION OF B-GLYCOSIDE COMPOUNDS NISSAN CHEMICAL IND LTD (JP) 2015-06-10 EP disclosed
US-8975394-B2 Process for preparation of β-glycoside compounds NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-03-10 US disclosed
EP-2537839-A1 B-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING B-DIHYDROFURAN DERIVING COMPOUND OR B-TETRAHYDROFURAN DERIVING COMPOUND, B -GLYCOSIDE COMPOUND, METHOD FOR PRODUCING B-GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF Nissan Chemical Industries, Ltd. (JP) 2012-12-26 EP disclosed
EP-2537851-A1 PROCESS FOR PREPARATION OF B-GLYCOSIDE COMPOUNDS Nissan Chemical Industries, Ltd. (JP) 2012-12-26 EP disclosed
US-20120322995-A1 beta-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING beta-DIHYDROFURAN DERIVING COMPOUND OR beta-TETRAHYDROFURAN DERIVING COMPOUND, beta-GLYCOSIDE COMPOUND, METHOD FOR PRODUCING beta GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-12-20 US disclosed
US-20120309958-A1 PROCESS FOR PREPARATION OF B-GLYCOSIDE COMPOUNDS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-12-06 US disclosed
US-6489476-B1 FRUCTOSE-1,6-BISPHOSPHATASE ENZYME INHIBITORS ARE USEFUL IN THE TREATMENT OF DIABETES AND OTHER CONDITIONS ASSOCIATED WITH ELEVATED BLOOD GLUCOSE OR EXCESS GLYCOGEN STORAGE. METABASIS THERAPEUTICS, INC. 2002-12-03 US disclosed
US-20020173490-A1 Novel bisamidate phosphonate prodrugs METABASIS THERAPEUTICS, INC. 2002-11-21 US disclosed
EP-1143955-A3 A COMBINATION OF FBPase INHIBITORS AND INSULIN SENSITIZERS FOR THE TREATMENT OF DIABETES Metabasis Therapeutics Inc. (US) 2002-08-28 EP disclosed
US-20020032329-A1 Method for the preparation of tetrahydrobenzothiepines G.D. SEARLE LLC 2002-03-14 US disclosed
WO-2002003978-A2 A COMBINATION OF FBPase INHIBITORS AND ANTIDIABETIC AGENTS USEFUL FOR THE TREATMENT OF DIABETES METABASIS THERAPEUTICS, INC. (US) 2002-01-17 WO disclosed
EP-1143955-A2 A COMBINATION OF FBPase INHIBITORS AND INSULIN SENSITIZERS FOR THE TREATMENT OF DIABETES Metabasis Therapeutics Inc. (US) 2001-10-17 EP disclosed
WO-2001068637-A2 METHOD FOR THE PREPARATION OF TETRAHYDROBENZOTHIEPINES PHARMACIA CORPORATION (US) 2001-09-20 WO disclosed
EP-1112275-A1 NOVEL HETEROAROMATIC INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE Metabasis Therapeutics, Inc. (US) 2001-07-04 EP disclosed
WO-2000038666-A2 A COMBINATION OF FBPase INHIBITORS AND INSULIN SENSITIZERS FOR THE TREATMENT OF DIABETES METABASIS THERAPEUTICS, INC. (US) 2000-07-06 WO disclosed
WO-2000014095-A1 NOVEL HETEROAROMATIC INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 2000-03-16 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 (4 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-20020173490-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, G6PC1 LMNA 3965/4885ALDH1A1 852/4885THRB 1065/4885
US-20200172560-A1 PROCESS FOR PREPARATION OF CRISABOROLE CFB, F13B, C9 LMNA 1530/4885ALDH1A1 4153/4885THRB 4338/4885
US-20020032329-A1 Method for the preparation of tetrahydrobenzothiepines TMT1A, THOP1, BBOX1 LMNA 3289/4885ALDH1A1 44/4885THRB 1182/4885
US-20120322995-A1 beta-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING beta-DIHYDROFURAN DERIVING COMPOUND OR beta-TETRAHYDROFURAN DERIVING COMPOUND, beta-GLYCOSIDE COMPOUND, METHOD FOR PRODUCING beta GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF DHPS, B4GALT1, STT3A LMNA 1640/4885ALDH1A1 495/4885THRB 1554/4885

“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.