SCHEMBL769452

SCHEMBL769452

CCC(O)OC(=O)/C=C\C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 11/20 0.57
TSHR P16473 3/20 0.38
TP53 P04637 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL950770 1.00 HCAR2 (0.57) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL27660385 1.00 HCAR2 (0.57) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL950768 0.91 TSHR (0.43) HCAR2TSHRATMKEAP1NFE2L2
SCHEMBL301454 0.91 TSHR (0.43) HCAR2TSHRATMKEAP1NFE2L2
SCHEMBL301455 0.91 TSHR (0.43) HCAR2TSHRATMKEAP1NFE2L2
Acetic Acid Methyl Ester SCHEMBL20483629 0.91 HCAR2 (0.48) HCAR2TSHRTP53EGLN1EGLN3
Maleic Acid SCHEMBL28398903 0.86 HCAR2 (0.42) HCAR2TSHRTP53EGLN1EGLN3
Fumaric Acid SCHEMBL2774698 0.86 HCAR2 (0.42) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL29185573 0.85 HCAR2 (0.47) HCAR2TSHRALDH1A1KDM4EMAPT
SCHEMBL11654063 0.84 HCAR2 (0.53) HCAR2TSHRTP53EGLN1EGLN3

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 74 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
EP-1991515-A2 BIO-DERIVED 1,3-PROPANEDIOL AND ITS CONJUGATE ESTERS AS NATURAL AND NON IRRITATING SOLVENTS FOR BIOMASS-DERIVED EXTRACTS FRAGRANCE CONCENTRATES, AND OILS DuPont Tate & Lyle Bio Products Company, LLC (US) 2008-11-19 EP 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-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
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
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

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 HCAR2 1390/4885TSHR 4379/4885TP53 2655/4885
US-20070202580-A1 Synthesis of mono and di esters from biologically-produced 1,3-propanediol DECR1, DECR2, HSD17B12 HCAR2 519/4885TSHR 4727/4885TP53 3246/4885
US-20070202126-A1 biodegradable; improved anthropogenic carbon dioxide emission profile BMP2, PGD, EBP HCAR2 1339/4885TSHR 4738/4885TP53 2771/4885
US-20140328938-A1 Pharmaceutical Compositions Comprising Renewably-Based Biodegradable 1,3-Propanediol PGD, PHGDH, CYP3A43 HCAR2 399/4885TSHR 4172/4885TP53 754/4885
US-20130210934-A1 FLAVORING AGENTS CONTAINING BIO-DERIVED 1,3-PROPANEDIOL AND ITS CONJUGATE ESTERS ALDH1A3, ALDH1A1, ALDH18A1 HCAR2 592/4885TSHR 3931/4885TP53 1356/4885
US-20140326923-A1 Agricultural Compositions Comprising Renewably-Based Biodegradable 1,3-Propanediol PGD, PHGDH, HPD HCAR2 860/4885TSHR 4644/4885TP53 1257/4885
US-20070202073-A1 Personal care and cosmetics compositions comprising biologically-based mono and di esters PBDC1, CUTA, EBP HCAR2 407/4885TSHR 3598/4885TP53 1142/4885

“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.