SCHEMBL6900403

SCHEMBL6900403

COc1ccc(C(=O)C[C@@H](O)C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
GSK3B P49841 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.50
RAB9A P51151 1/20 0.50
ALOX15 P16050 1/20 0.50
APEX1 P27695 1/20 0.50

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
SCHEMBL6900410 1.00 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
P-Anisic Acid SCHEMBL28672444 0.83 CA1 (0.59) ALDH1A1NPC1RAB9AHSD17B10PDE4B
SCHEMBL19984702 0.81 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6902376 0.81 GSK3B (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6902380 0.81 GSK3B (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31274111 0.80 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL562273 0.80 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22615847 0.79 KMT2A (0.51) HDAC4HDAC6GAAALDH1A1NPC1
SCHEMBL22619616 0.79 KMT2A (0.51) HDAC4HDAC6GAAALDH1A1NPC1
SCHEMBL26835340 0.79 KMT2A (0.51) HDAC4HDAC6GAAALDH1A1NPC1

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 HDAC3 739/4885HDAC4 706/4885HDAC1 1847/4885
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 HDAC3 784/4885HDAC4 800/4885HDAC1 1879/4885
US-20020016511-A1 Reacting an imine with a hemiacetal; hydrolysis under acid conditions ADH1C, ADH1A, HPD HDAC3 889/4885HDAC4 918/4885HDAC1 2309/4885

“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.