SCHEMBL6897949

SCHEMBL6897949

O=C(CC(O)C(F)(F)F)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
MAPT P10636 4/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
MEN1 O00255 2/20 0.48
CES1 P23141 2/20 0.48
MAPK1 P28482 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
PDPK1 O15530 1/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 5/20 0.45
GSK3B P49841 2/20 0.45
TRPA1 O75762 1/20 0.45
HIF1A Q16665 1/20 0.45
PTPN1 P18031 1/20 0.45
DPP4 P27487 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
SCHEMBL6897943 1.00 TSHR (0.55) TSHRMAPTKMT2ASMN1; SMN2TDP1
SCHEMBL6900741 1.00 TSHR (0.55) TSHRMAPTKMT2ASMN1; SMN2TDP1
Acetic Acid SCHEMBL10333511 0.95 TSHR (0.50) TSHRMAPTKMT2ASMN1; SMN2TDP1
SCHEMBL6902376 0.81 GSK3B (0.48) MAPTKMT2ASMN1; SMN2MEN1CES1
SCHEMBL6900441 0.81 GSK3B (0.50) MAPTKMT2ACES1PDPK1NPC1
SCHEMBL6904340 0.81 GSK3B (0.50) MAPTKMT2ACES1PDPK1NPC1
SCHEMBL6902380 0.81 GSK3B (0.48) MAPTKMT2ASMN1; SMN2MEN1CES1
SCHEMBL16324477 0.81 TSHR (0.55) TSHRMAPTKMT2ASMN1; SMN2TDP1
SCHEMBL8900391 0.81 TSHR (0.55) TSHRMAPTKMT2ASMN1; SMN2TDP1
SCHEMBL8900386 0.81 TSHR (0.55) TSHRMAPTKMT2ASMN1; SMN2TDP1

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 18 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 claimed
EP-0327349-A2 Liquid crystal compounds Showa Shell Sekiyu Kabushiki Kaisha (JP) 1989-08-09 EP claimed
JP-1246239-A None JP disclosed
JP-3176450-A None JP disclosed
JP-3176450-A None JP disclosed
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
US-5424005-A Fluoroalkyl group containing benzoic acid esters SHOWA SHELL SEKIYU K.K. (JP) 1995-06-13 US disclosed
US-5204020-A For display elements or an electrooptical element SHOWA SHELL SEKIYU K.K. (JP) 1993-04-20 US disclosed
JP-H03176450-A PRODUCTION OF 3-HYDROXY-4,4,4-TRIFLUORO-1-PHENYLBUTAN-1-ONE TOAGOSEI CHEM IND CO LTD 1991-07-31 JP disclosed
JP-H03176450-A PRODUCTION OF 3-HYDROXY-4,4,4-TRIFLUORO-1-PHENYLBUTAN-1-ONE TOAGOSEI CHEM IND CO LTD 1991-07-31 JP disclosed
US-4929760-A ENANTIOMORPHS, LIQUID CRYSTALS, FUNGICIDES, HERBICIDES SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) 1990-05-29 US disclosed
JP-H01246239-A FLUORINE-CONTAINING CARBONYL COMPOUND AND PRODUCTION THEREOF SHOWA SHELL SEKIYU KK 1989-10-02 JP disclosed
EP-0327349-A2 Liquid crystal compounds Showa Shell Sekiyu Kabushiki Kaisha (JP) 1989-08-09 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 (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 TSHR 1837/4885MAPT 2950/4885KMT2A 4162/4885
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 TSHR 1989/4885MAPT 2905/4885KMT2A 4098/4885
US-20020016511-A1 Reacting an imine with a hemiacetal; hydrolysis under acid conditions ADH1C, ADH1A, HPD TSHR 2490/4885MAPT 2961/4885KMT2A 3880/4885

“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.