SCHEMBL6904340

SCHEMBL6904340

O=C(C[C@@H](O)C(F)(F)F)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.50
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 5/20 0.47
MAPT P10636 3/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 1/20 0.45
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
PDPK1 O15530 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
THRB P10828 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42

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
SCHEMBL6900441 1.00 GSK3B (0.50) GSK3BGAAL3MBTL1MAPTCYP2C9
SCHEMBL6902376 0.82 GSK3B (0.48) GSK3BL3MBTL1MAPTPOLBNPC1
SCHEMBL6902380 0.82 GSK3B (0.48) GSK3BL3MBTL1MAPTPOLBNPC1
SCHEMBL6900741 0.81 TSHR (0.55) GSK3BGAAL3MBTL1MAPTCYP2C9
SCHEMBL6897943 0.81 TSHR (0.55) GSK3BGAAL3MBTL1MAPTCYP2C9
SCHEMBL6897949 0.81 TSHR (0.55) GSK3BGAAL3MBTL1MAPTCYP2C9
SCHEMBL23782425 0.81 KMO (0.62)
SCHEMBL24106434 0.80 CES2 (0.46) GSK3BGAAL3MBTL1MAPTALDH1A1
SCHEMBL19984701 0.79 GSK3B (0.55) GSK3BL3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL6900410 0.78 HDAC3 (0.53) GSK3BGAAL3MBTL1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833468-B2 Reacting an optically active imine with a compound that is a hemiacetal of a perfluoroalkylaldehyde or a hydrate of a perfluoroalkylaldehyde to obtain a condensate, hydrolyzing CENTRAL GLASS COMPANY, LIMITED (JP) 2004-12-21 US disclosed
US-6642409-B2 Reacting an imine with a hemiacetal; hydrolysis under acid conditions CENTRAL GLASS COMPANY, LIMITED (JP) 2003-11-04 US disclosed
US-6639100-B2 Baeyer-Villiger oxidation of an optically active 4,4,4-tri-fluoro-3-hydroxy-1-aryl-1-butanone; purification by precipitation and removing racemic crystals; agriculture; drugs; ferroelectric liquid crystals; chemical intermediates CENTRAL GLASS COMPANY, LIMITED (JP) 2003-10-28 US disclosed
US-20030100767-A1 Reacting an optically active imine with a compound that is a hemiacetal of a perfluoroalkylaldehyde or a hydrate of a perfluoroalkylaldehyde to obtain a condensate, hydrolyzing CENTRAL GLASS COMPANY, LIMITED 2003-05-29 US disclosed
US-20030088095-A1 Reacting an optically active imine with a hemiacetal of a perfluoroalkylaldehyde or a hydrate; hydrolyzing the condensate under an acid condition. CENTRAL GLASS COMPANY, LIMITED 2003-05-08 US disclosed
US-20020016511-A1 Reacting an imine with a hemiacetal; hydrolysis under acid conditions CENTRAL GLASS COMPANY, LIMITED (JP) 2002-02-07 US 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 (3 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-20030100767-A1 Reacting an optically active imine with a compound that is a hemiacetal of a perfluoroalkylaldehyde or a hydrate of a perfluoroalkylaldehyde to obtain a condensate, hydrolyzing ADH1C, ADH1A, HPD GSK3B 1305/4885GAA 3520/4885L3MBTL1 3918/4885
US-20030088095-A1 Reacting an optically active imine with a hemiacetal of a perfluoroalkylaldehyde or a hydrate; hydrolyzing the condensate under an acid condition. ADH1C, ADH1A, HPD GSK3B 1044/4885GAA 3535/4885L3MBTL1 3968/4885
US-20020016511-A1 Reacting an imine with a hemiacetal; hydrolysis under acid conditions ADH1C, ADH1A, HPD GSK3B 888/4885GAA 3418/4885L3MBTL1 3697/4885

“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.