SCHEMBL3853840

SCHEMBL3853840

CCOC(=O)C[C@H](O)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.50
GAA P10253 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
ALDH1A1 P00352 7/20 0.46
TRPA1 O75762 1/20 0.46
ALOX15 P16050 3/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HSD17B10 Q99714 2/20 0.41
CHRM1 P11229 1/20 0.41
ADORA1 P30542 1/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
SOAT1 P35610 1/20 0.39

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
SCHEMBL1427228 1.00 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL9743315 1.00 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1258369 0.90 GAA (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13286122 0.89 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27753226 0.86 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL22475413 0.86 GPR84 (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27331577 0.85 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21551999 0.84 GPR84 (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21551847 0.84 GPR84 (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21552020 0.84 GPR84 (0.47) MGAMGAASIMGAM2ALDH1A1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4363599-A1 METHODS TO PRODUCE THERAPEUTIC FORMULATIONS COMPRISING HYDROXYBUTIRATE AND HYDROXYVALERATE, THERAPEUTIC FORMULATIONS AND USES THEREOF PHB Industrial S.A. (BR) 2024-05-08 EP disclosed
WO-2023278240-A1 METHODS TO PRODUCE THERAPEUTIC FORMULATIONS COMPRISING HYDROXYBUTIRATE AND HYDROXYVALERATE, THERAPEUTIC FORMULATIONS AND USES THEREOF PHB INDUSTRIAL S.A. (BR) 2023-01-05 WO disclosed
US-9487551-B2 Small molecule compounds that control mammal-pathogenic nematodes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-11-08 US disclosed
US-9445596-B2 Small molecule compounds for the control of nematodes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-09-20 US disclosed
US-20140364386-A1 Small Molecule Compounds That Control Plant- and Insect-Pathogenic Nematodes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-12-11 US disclosed
US-20140303102-A1 Small Molecule Compounds that Control Mammal-Pathogenic Nematodes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-09 US disclosed
US-20140303360-A1 Small Molecule Compounds for the Control of Nematodes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-09 US disclosed
US-8273547-B2 Engineered ketoreductases and methods for producing stereoisomerically pure statins CODEXIS, INC. (US) 2012-09-25 US disclosed
US-20110251289-A1 NEW COMPOUNDS FOR THE TREATMENT OF CANCER CSIR (ZA) 2011-10-13 US disclosed
EP-1904640-B1 ASYMMETRIC REDUCTION OF 1,1,1-TRIFLUOROACETONE HOFFMANN LA ROCHE (CH) 2009-08-19 EP disclosed
EP-1904640-A2 ASYMMETRIC REDUCTION OF 1,1,1-TRIFLUOROACETONE F. Hoffmann-Roche AG (CH) 2008-04-02 EP disclosed
US-7196234-B2 Asymmetric reduction of 1,1,1-trifluoroacetone HOFFMAN-LA ROCHE INC. (US) 2007-03-27 US disclosed
WO-2007006650-A2 ASYMMETRIC REDUCTION OF 1,1,1-TRIFLUOROACETONE F. HOFFMANN-LA ROCHE AG (CH) 2007-01-18 WO disclosed
US-20070009999-A1 Asymmetric reduction of 1,1,1-trifluoroacetone HOFFMANN-LA ROCHE INC. 2007-01-11 US disclosed
US-5128252-A Resolution of optically active esters, transesterification, lipase CHISSO CORPORATION (JP) 1992-07-07 US disclosed
EP-0384189-A2 Optically active compound and a process for the production thereof CHISSO CORPORATION (JP) 1990-08-29 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 (4 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-20140303360-A1 Small Molecule Compounds for the Control of Nematodes MAVS, EMG1, PINK1 MGAM 4326/4885GAA 4052/4885SI 3672/4885
US-20140364386-A1 Small Molecule Compounds That Control Plant- and Insect-Pathogenic Nematodes HNMT, EMG1, API5 MGAM 1696/4885GAA 2022/4885SI 3201/4885
US-20110251289-A1 NEW COMPOUNDS FOR THE TREATMENT OF CANCER DUT, BAD, TYMS MGAM 3887/4885GAA 1931/4885SI 2422/4885
US-20140303102-A1 Small Molecule Compounds that Control Mammal-Pathogenic Nematodes EMG1, HNMT, MSN MGAM 2012/4885GAA 1769/4885SI 2168/4885

“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.