SCHEMBL769184

SCHEMBL769184

CCC(O)OC(=O)CCCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
AKR1B1 P15121 1/20 0.46
LMNA P02545 3/20 0.46
GPR84 Q9NQS5 7/20 0.45
PPARG P37231 7/20 0.45
PPARD Q03181 7/20 0.45
PPARA Q07869 7/20 0.45
HDAC11 Q96DB2 5/20 0.45
PTPN1 P18031 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TLR2 O60603 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
FABP4 P15090 2/20 0.45
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
MEN1 O00255 1/20 0.45
ESR1 P03372 1/20 0.45
ALOX15 P16050 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
SCHEMBL2182362 0.98 LMNA (0.48) TSHRLMNAGPR84PPARGPPARD
SCHEMBL11159880 0.92 LMNA (0.52) TSHRLMNAALDH1A1TDP1MEN1
SCHEMBL10884007 0.90 LMNA (0.55) LMNAALDH1A1MEN1KMT2A
SCHEMBL8155595 0.88 EGLN1 (0.43) TSHRAKR1B1LMNAGPR84PPARG
SCHEMBL11093080 0.87 LMNA (0.47) TSHRLMNAALDH1A1TDP1MEN1
SCHEMBL10419385 0.86 LMNA (0.62) LMNAALDH1A1MEN1KMT2A
SCHEMBL114259 0.85 FFAR4 (0.50) TSHRAKR1B1LMNAGPR84PPARG
SCHEMBL769294 0.84 LMNA (0.66) LMNAALDH1A1MEN1KMT2A
SCHEMBL3930992 0.84 LMNA (0.66) LMNAALDH1A1MEN1KMT2A
SCHEMBL3720851 0.84 LMNA (0.66) LMNAALDH1A1MEN1KMT2A

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 111 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-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-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-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
WO-2011158102-A1 CONTINUOUS PROCESS FOR THE PRODUCTION OF POLYESTER RESINS SUITABLE AS BINDERS FOR COMPATIBLE THERMOSETTING PAINTS ANS PAINTS BASED ON SAID POLYESTER RESINS ALCEA - AZIENDA LOMBARDA COLORI E AFFINI S.R.L. (IT) 2011-12-22 WO 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-20070203276-A1 Plasticizers comprising biologically-based mono and di 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
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 TSHR 4379/4885AKR1B1 621/4885LMNA 1750/4885
US-20070202580-A1 Synthesis of mono and di esters from biologically-produced 1,3-propanediol DECR1, DECR2, HSD17B12 TSHR 4727/4885AKR1B1 203/4885LMNA 3804/4885
US-20070202126-A1 biodegradable; improved anthropogenic carbon dioxide emission profile BMP2, PGD, EBP TSHR 4738/4885AKR1B1 1405/4885LMNA 1877/4885
US-20140328938-A1 Pharmaceutical Compositions Comprising Renewably-Based Biodegradable 1,3-Propanediol PGD, PHGDH, CYP3A43 TSHR 4172/4885AKR1B1 653/4885LMNA 3913/4885
US-20130210934-A1 FLAVORING AGENTS CONTAINING BIO-DERIVED 1,3-PROPANEDIOL AND ITS CONJUGATE ESTERS ALDH1A3, ALDH1A1, ALDH18A1 TSHR 3931/4885AKR1B1 493/4885LMNA 2649/4885
US-20140326923-A1 Agricultural Compositions Comprising Renewably-Based Biodegradable 1,3-Propanediol PGD, PHGDH, HPD TSHR 4644/4885AKR1B1 514/4885LMNA 3333/4885
US-20070202073-A1 Personal care and cosmetics compositions comprising biologically-based mono and di esters PBDC1, CUTA, EBP TSHR 3598/4885AKR1B1 167/4885LMNA 1332/4885

“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.