SCHEMBL416565

SCHEMBL416565

CCC(OC(=O)c1ccccc1)OC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
TP53 P04637 1/20 0.57
LMNA P02545 4/20 0.53
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
F2 P00734 1/20 0.50
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
MAPT P10636 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CYP1A2 P05177 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
SCHEMBL27782525 0.94 TSHR (0.52) TSHRTP53LMNAPDCD1CD274
SCHEMBL1459546 0.92 TSHR (0.53) TSHRTP53LMNAPDCD1CD274
SCHEMBL5152560 0.91 ESR1 (0.58) TSHRTP53LMNAPDCD1CD274
SCHEMBL13335240 0.91 TSHR (0.52) TSHRTP53LMNAPDCD1CD274
SCHEMBL1345748 0.90 TSHR (0.47) TSHRTP53LMNAPDCD1CD274
SCHEMBL28391084 0.89 TSHR (0.50) TSHRTP53LMNAPDCD1CD274
SCHEMBL16805838 0.88 PDCD1 (0.51) TSHRTP53LMNAPDCD1CD274
SCHEMBL9650729 0.87 TSHR (0.45) TSHRTP53LMNAPDCD1CD274
SCHEMBL9651258 0.87 TSHR (0.45) TSHRTP53LMNAPDCD1CD274
SCHEMBL2013038 0.85 LMNA (0.55) TSHRTP53LMNAPDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4486289-A1 COMPOSITIONS AND METHODS FOR CURLY HAIR L'OREAL (FR) 2025-01-08 EP claimed
WO-2023164280-A1 COMPOSITIONS AND METHODS FOR CURLY HAIR RUGHANI RONAK (US) 2023-08-31 WO claimed
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
CN-105566531-A Preparation method of high-tacticity polypropylene SINOPEC YANGZI PETROCHEMICAL 2016-05-11 CN 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
CN-103571044-A Preparation method of high-impact-strength polypropylene kettle internal alloy CHINA PETROLEUM & CHEMICAL 2014-02-12 CN claimed
CN-103571045-A Preparation method of anti-impact polypropylene in-reactor alloy CHINA PETROLEUM & CHEMICAL 2014-02-12 CN 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
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-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-20070203276-A1 Plasticizers 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

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

For each of this compound's patents that has machine-readable text (5 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-20070202580-A1 Synthesis of mono and di esters from biologically-produced 1,3-propanediol DECR1, DECR2, HSD17B12 TSHR 4727/4885TP53 3246/4885LMNA 3804/4885
US-20070202126-A1 biodegradable; improved anthropogenic carbon dioxide emission profile BMP2, PGD, EBP TSHR 4738/4885TP53 2771/4885LMNA 1877/4885
US-20140328938-A1 Pharmaceutical Compositions Comprising Renewably-Based Biodegradable 1,3-Propanediol PGD, PHGDH, CYP3A43 TSHR 4172/4885TP53 754/4885LMNA 3913/4885
US-20140326923-A1 Agricultural Compositions Comprising Renewably-Based Biodegradable 1,3-Propanediol PGD, PHGDH, HPD TSHR 4644/4885TP53 1257/4885LMNA 3333/4885
US-20070202073-A1 Personal care and cosmetics compositions comprising biologically-based mono and di esters PBDC1, CUTA, EBP TSHR 3598/4885TP53 1142/4885LMNA 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.