SCHEMBL769453

SCHEMBL769453

O=C(/C=C\C(=O)OCCCO)OCCCO

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.62
HCAR2 Q8TDS4 6/20 0.54
TSHR P16473 5/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
APP P05067 3/20 0.45
HPGD P15428 1/20 0.41
ESR1 P03372 2/20 0.38
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ACHE P22303 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
SCHEMBL217268 1.00 ATM (0.62) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL301456 1.00 ATM (0.62) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL8676091 0.92 ATM (0.60) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL2811731 0.92 ATM (0.60) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL2813246 0.92 ATM (0.60) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL9717896 0.91 ATM (0.54) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL217270 0.91 HCAR2 (0.68) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL950769 0.91 HCAR2 (0.68) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL217269 0.91 HCAR2 (0.68) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL11121965 0.90 ATM (0.58) ATMHCAR2TSHRALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9668951-B2 Pharmaceutical compositions comprising renewably-based biodegradable 1,3-propanediol DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC (US) 2017-06-06 US claimed
US-9375390-B2 Agricultural compositions comprising renewably-based biodegradable 1,3-propanediol DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC (US) 2016-06-28 US claimed
US-20140328938-A1 Pharmaceutical Compositions Comprising Renewably-Based Biodegradable 1,3-Propanediol DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC (US) 2014-11-06 US claimed
US-20140326923-A1 Agricultural Compositions Comprising Renewably-Based Biodegradable 1,3-Propanediol DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC (US) 2014-11-06 US claimed
US-8598231-B2 Flavoring agents containing bio-derived 1,3-propanediol and its conjugate esters DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC (US) 2013-12-03 US claimed
US-20130210934-A1 FLAVORING AGENTS CONTAINING BIO-DERIVED 1,3-PROPANEDIOL AND ITS CONJUGATE ESTERS DuPont Run & Lyle Bio Products Company, LLC (US) 2013-08-15 US claimed
US-8436046-B2 Detergent composition containing bio-derived 1,3-propanediol and its conjugate esters DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC (US) 2013-05-07 US claimed
US-8309116-B2 Personal care and cosmetics compositions comprising biologically-based mono and di esters DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC (US) 2012-11-13 US claimed
US-20120071390-A1 DETERGENT COMPOSITION CONTAINING BIO-DERIVED 1,3-PROPANEDIOL AND ITS CONJUGATE ESTERS BARCLAYS BANK PLC, AS COLLATERAL AGENT 2012-03-22 US claimed
US-8048920-B2 Personal care composition containing bio-derived 1,3-propanediol and its conjugate esters DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC (US) 2011-11-01 US claimed
WO-2008123845-A2 COMPOSITIONS COMPRISING MONO AND DI ESTERS OF BIOLOGICALLY-BASED 1.3-PROPANEDIOL DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC (US) 2008-10-16 WO claimed
US-20070213247-A1 Detergent and liquid soap compositions comprising biologically-based mono and di esters DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC 2007-09-13 US claimed
US-20070207939-A1 Compositions comprising mono and di esters of biologically-based 1,3-propanediol DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC 2007-09-06 US claimed
US-20070202126-A1 biodegradable; improved anthropogenic carbon dioxide emission profile BARCLAYS BANK PLC, AS COLLATERAL AGENT 2007-08-30 US claimed
US-20070202580-A1 Synthesis of mono and di esters from biologically-produced 1,3-propanediol BARCLAYS BANK PLC, AS COLLATERAL AGENT 2007-08-30 US claimed
US-20070203276-A1 Plasticizers comprising biologically-based mono and di esters DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC 2007-08-30 US claimed
US-20070203323-A1 Food compositions comprising biologically-based biodegradable 1,3-propanediol esters DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC 2007-08-30 US claimed
US-20070202073-A1 Personal care and cosmetics compositions comprising biologically-based mono and di esters DUPONT TATE &LYLE BIO PRODUCTS COMPANY, LLC 2007-08-30 US claimed
WO-2007095262-A2 BIO-DERIVED 1,3-PROPANEDIOL AND ITS CONJUGATE ESTERS AS NATURAL AND NON IRRITATING SOLVENTS DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC (US) 2007-08-23 WO claimed
US-7247659-B2 Photosensitive resin composition CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-07-24 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20120071390-A1 DETERGENT COMPOSITION CONTAINING BIO-DERIVED 1,3-PROPANEDIOL AND ITS CONJUGATE ESTERS PHOSPHO1, ABHD11, DEGS1 ATM 4397/4885HCAR2 1390/4885TSHR 4379/4885
US-20070202580-A1 Synthesis of mono and di esters from biologically-produced 1,3-propanediol DECR1, DECR2, HSD17B12 ATM 4049/4885HCAR2 519/4885TSHR 4727/4885
US-20070202126-A1 biodegradable; improved anthropogenic carbon dioxide emission profile BMP2, PGD, EBP ATM 2958/4885HCAR2 1339/4885TSHR 4738/4885
US-20140328938-A1 Pharmaceutical Compositions Comprising Renewably-Based Biodegradable 1,3-Propanediol PGD, PHGDH, CYP3A43 ATM 3754/4885HCAR2 399/4885TSHR 4172/4885
US-20130210934-A1 FLAVORING AGENTS CONTAINING BIO-DERIVED 1,3-PROPANEDIOL AND ITS CONJUGATE ESTERS ALDH1A3, ALDH1A1, ALDH18A1 ATM 3604/4885HCAR2 592/4885TSHR 3931/4885
US-20140326923-A1 Agricultural Compositions Comprising Renewably-Based Biodegradable 1,3-Propanediol PGD, PHGDH, HPD ATM 2488/4885HCAR2 860/4885TSHR 4644/4885
US-20070202073-A1 Personal care and cosmetics compositions comprising biologically-based mono and di esters PBDC1, CUTA, EBP ATM 4293/4885HCAR2 407/4885TSHR 3598/4885

“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.