1,3-Propanediol

1,3-Propanediol

SCHEMBL815140

Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.OCCCO

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of 1,3-Propanediol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
CYP2C9 P11712 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.48
RECQL P46063 1/20 0.47
SNCA P37840 1/20 0.46
G6PD P11413 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45

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
1,3-Propanediol SCHEMBL3302630 1.00 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2
1,4-Butanediol SCHEMBL8461121 0.96 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2
SCHEMBL10618328 0.94 ALDH1A1 (0.48) ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2
1,5-Pentanediol SCHEMBL28493250 0.94 ALDH1A1 (0.48) ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2
1,6-Hexanediol SCHEMBL28193578 0.94 ALDH1A1 (0.48) ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2
1,5-Pentanediol SCHEMBL3465348 0.94 ALDH1A1 (0.48) ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2
1,6-Hexanediol SCHEMBL28498786 0.94 ALDH1A1 (0.48) ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2
Ethylene Glycol SCHEMBL1617625 0.91 GAA (0.52) ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2
Ethylene Glycol SCHEMBL241885 0.91 GAA (0.52) ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2
Ethylene Glycol SCHEMBL1936216 0.91 GAA (0.52) ALDH1A1CYP2C9CYP3A4CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11286490-A None JP disclosed
WO-2025070154-A1 POLYAMIDE RESIN, PHOTOSENSITIVE RESIN COMPOSITION, CURED PRODUCT AND METHOD FOR PRODUCING SAME, AND ELECTRONIC COMPONENT 東レ株式会社 2025-04-03 WO disclosed
WO-2025063188-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED PRODUCT, ORGANIC EL DISPLAY DEVICE, AND METHOD FOR PRODUCING CURED PRODUCT 東レ株式会社 2025-03-27 WO disclosed
WO-2024171805-A1 POLYIMIDE RESIN, PHOTOSENSITIVE RESIN COMPOSITION, CURED PRODUCT, ORGANIC EL DISPLAY DEVICE, AND ELECTRONIC COMPONENT 東レ株式会社 2024-08-22 WO disclosed
CN-115298227-B Group III and lanthanide bis-phenyl-phenoxy metal-ligand complexes 陶氏环球技术有限责任公司 2024-06-04 CN disclosed
CN-118020025-A Photosensitive resin composition, cured product, organic EL display device, semiconductor device, and method for producing cured product 东丽株式会社 2024-05-10 CN disclosed
CN-117069749-A Group III and lanthanide bis-phenyl-phenoxy metal-ligand complexes 陶氏环球技术有限责任公司 2023-11-17 CN disclosed
WO-2023182327-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION, CURED PRODUCT, ORGANIC EL DISPLAY DEVICE, AND METHOD FOR PRODUCING CURED PRODUCT 東レ株式会社 2023-09-28 WO disclosed
WO-2023095785-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED ARTICLE, ORGANIC EL DISPLAY DEVICE, SEMICONDUCTOR DEVICE, AND METHOD FOR PRODUCING CURED ARTICLE 東レ株式会社 2023-06-01 WO disclosed
CN-115298227-A Group III and lanthanide bis-phenyl-phenoxy metal-ligand complexes 陶氏环球技术有限责任公司 2022-11-04 CN disclosed
US-20110282018-A1 PROCESS FOR SELECTIVELY POLYMERIZING ETHYLENE AND CATALYST THEREFOR DOW GLOBAL TECHNOLOGIES LLC 2011-11-17 US disclosed
EP-2094633-A1 HYDROFLUOROETH R COMPOUNDS AND PROCESSES FOR THEIR PREPARATION AND USE 3M Innovative Properties Company (US) 2009-09-02 EP disclosed
EP-2027100-A2 CYCLIC HYDROFLUOROETHER COMPOUNDS AND PROCESSES FOR THEIR PREPARATION AND USE 3M Innovative Properties Company (US) 2009-02-25 EP disclosed
WO-2008083054-A2 LIGANDS FOR CARDIAC BETA1 ADRENOCEPTOR FOR IMAGING CONGESTIVE HEART FAILURE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-07-10 WO disclosed
WO-2008070606-A1 HYDROFLUOROETHΞR COMPOUNDS AND PROCESSES FOR THEIR PREPARATION AND USE 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-06-12 WO disclosed
US-20080139683-A1 HYDROFLUOROETHER COMPOUNDS AND PROCESSES FOR THEIR PREPARATION AND USE 3M INNOVATIVE PROPERTIES COMPANY 2008-06-12 US disclosed
WO-2007136948-A2 CYCLIC HYDROFLUOROETHER COMPOUNDS AND PROCESSES FOR THEIR PREPARATION AND USE 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-11-29 WO disclosed
US-20070267464-A1 CYCLIC HYDROFLUOROETHER COMPOUNDS AND PROCESSES FOR THEIR PREPARATION AND USE 3M INNOVATIVE PROPERTIES COMPANY 2007-11-22 US disclosed
US-6130330-A Process for preparing macropolycyclic polyamines CLARIANT GMBH (DE) 2000-10-10 US disclosed
JP-H11286490-A PRODUCTION OF MACROPOLYCYCLIC POLYAMIDE CLARIANT GMBH 1999-10-19 JP 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 (3 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-20070267464-A1 CYCLIC HYDROFLUOROETHER COMPOUNDS AND PROCESSES FOR THEIR PREPARATION AND USE AFF4, CYP4F3, CYP2F1 ALDH1A1 2903/4885CYP2C9 576/4885CYP3A4 267/4885
US-20080139683-A1 HYDROFLUOROETHER COMPOUNDS AND PROCESSES FOR THEIR PREPARATION AND USE OGFOD1, AQP3, FOS ALDH1A1 2812/4885CYP2C9 1630/4885CYP3A4 1050/4885
US-20110282018-A1 PROCESS FOR SELECTIVELY POLYMERIZING ETHYLENE AND CATALYST THEREFOR WEE2, NOTUM, WEE1 ALDH1A1 2392/4885CYP2C9 4020/4885CYP3A4 553/4885

“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.