SCHEMBL3188356

SCHEMBL3188356

O=C(O)CC(O)c1cccc(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ADRB3 P13945 10/20 0.50
ADRB1 P08588 9/20 0.50
ADRB2 P07550 6/20 0.48
ACP3 P15309 1/20 0.47
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CTSA P10619 1/20 0.46

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
SCHEMBL3188188 1.00 MEN1 (0.53) MEN1KMT2AADRB3ADRB1ADRB2
SCHEMBL16788643 0.84 L3MBTL1 (0.49) MEN1KMT2AADRB3ADRB1ADRB2
SCHEMBL15590888 0.84 L3MBTL1 (0.49) MEN1KMT2AADRB3ADRB1ADRB2
SCHEMBL14691472 0.84 MEN1 (0.54) MEN1KMT2AACP3CYP1A2CYP2D6
SCHEMBL8869652 0.82 MEN1 (0.56) MEN1KMT2AACP3CTSA
SCHEMBL28520767 0.81 ADRB2 (0.50) ADRB3ADRB1ADRB2
SCHEMBL8771026 0.81 GABBR2 (0.42) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL1198080 0.81 KMT2A (0.55) MEN1KMT2AACP3CYP1A2CYP2D6
SCHEMBL20535150 0.81 ALDH1A1 (0.58) MEN1KMT2AADRB3ADRB1ADRB2
SCHEMBL30861879 0.81 KMT2A (0.55) MEN1KMT2AACP3CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4702157-A1 ACYL-TRNA SYNTHETASES United Kingdom Research and Innovation (GB) 2026-03-04 EP claimed
WO-2024223922-A1 ACYL-tRNA SYNTHETASES UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2024-10-31 WO claimed
CN-115537405-B Ketoreductase and application thereof in preparation of (S) -1- (3-chlorophenyl) -1, 3-propanediol 尚科生物医药(上海)有限公司 2024-04-12 CN claimed
CN-115537405-A Ketoreductase and application thereof in preparation of (S) -1- (3-chlorphenyl) -1, 3-propylene glycol 尚科生物医药(上海)有限公司 2022-12-30 CN claimed
EP-4702157-A1 ACYL-TRNA SYNTHETASES United Kingdom Research and Innovation (GB) 2026-03-04 EP disclosed
WO-2024223922-A1 ACYL-tRNA SYNTHETASES UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2024-10-31 WO disclosed
CN-108863797-A The preparation method of a kind of 3- (substitution/unsubstituted phenyl) -3- hydroxyl propionyl hydroxamic acid 吉首大学 2018-11-23 CN disclosed
EP-1504014-B1 PROCESS FOR PREPARATION OF CYCLIC PRODRUGS OF PMEA AND PMPA METABASIS THERAPEUTICS INC (US) 2015-12-02 EP disclosed
EP-2223927-B1 Salts of a phosphonic acid based prodrug of PMEA METABASIS THERAPEUTICS INC (US) 2014-10-15 EP disclosed
CN-1964967-B Lewis acid mediated synthesis of cyclic esters METABASIS THERAPEUTICS INC 2014-04-16 CN disclosed
EP-1753762-B1 LEWIS ACID MEDIATED SYNTHESIS OF CYCLIC ESTERS METABASIS THERAPEUTICS INC (US) 2014-03-19 EP disclosed
EP-1556393-B1 NOVEL CYCLIC PHOSPHATE DIESTERS OF 1,3-PROPANE-1-ARYL DIOLS AND THEIR USE IN PREPARING PRODRUGS METABASIS THERAPEUTICS INC (US) 2013-12-25 EP disclosed
WO-2004041834-A2 NOVEL CYCLIC PHOSPHATE DIESTERS OF 1,3-PROPANE-1-ARYL DIOLS AND THEIR USE IN PREPARING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2004-05-21 WO disclosed
WO-2004037161-A2 CYCLIC PRODRUGS OF PMEA ONE OF ITS ANALOGUES METABASIS THERAPEUTICS, INC. (US) 2004-05-06 WO disclosed
US-20030229225-A1 Novel phosphonic acid based prodrugs of PMEA and its analogues METABASIS THERAPEUTICS, INC. 2003-12-11 US disclosed
US-20030225277-A1 Process for preparation of cyclic prodrugs of PMEA and PMPA METABASIS THERAPEUTICS, INC. 2003-12-04 US disclosed
WO-2003095665-A2 PMEA AND PMPA CYCLIC PRODUCING SYNTHESIS METABASIS THERAPEUTICS, INC. (US) 2003-11-20 WO disclosed
EP-0451668-B1 Process for the production of optically active alkyl 3-aryl-3-hydroxypropionates CHISSO CORP (JP) 1997-08-13 EP disclosed
US-5202457-A Enzyme catalyzed transesterification, resolution of optical active alkyl 3-aryl-3-hydroxypropionate CHISSO CORPORATION (JP) 1993-04-13 US disclosed
EP-0451668-A2 Optically active alkyl 3-aryl-3-hydroxypropionates and a method for producing thereof CHISSO CORPORATION (JP) 1991-10-16 EP 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 (2 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-20030225277-A1 Process for preparation of cyclic prodrugs of PMEA and PMPA MPO, PNP, MAOA MEN1 871/4885KMT2A 458/4885ADRB3 2909/4885
US-20030229225-A1 Novel phosphonic acid based prodrugs of PMEA and its analogues MTAP, PNP, MPO MEN1 922/4885KMT2A 585/4885ADRB3 2560/4885

“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.