SCHEMBL2536347

SCHEMBL2536347

O=C(CC(=O)OCC(F)(F)C(F)F)OCC(F)(F)C(F)F

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
TSHR P16473 2/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL19531999 0.87 GAA (0.49) GAATSHRPOLBLMNAALDH1A1
SCHEMBL2367713 0.83 TSHR (0.43) GAATSHRPOLBLMNAALDH1A1
SCHEMBL2690499 0.83 POLB (0.48) GAATSHRPOLBLMNAALDH1A1
SCHEMBL25858329 0.83 TSHR (0.44) GAATSHRPOLBLMNAALDH1A1
SCHEMBL13610602 0.83 TSHR (0.44) GAATSHRPOLBLMNAALDH1A1
SCHEMBL308634 0.81 TSHR (0.41) GAATSHRPOLBLMNAALDH1A1
SCHEMBL27925332 0.81 TSHR (0.50) GAATSHRPOLBLMNAALDH1A1
SCHEMBL28561943 0.81 TSHR (0.50) GAATSHRPOLBLMNAALDH1A1
SCHEMBL308783 0.80 POLB (0.45) GAATSHRPOLBLMNAALDH1A1
SCHEMBL2691908 0.79 POLB (0.52) GAATSHRPOLBLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671232-B2 Method for fabricating a high specific surface area mesoporous alumina INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-03-02 US claimed
US-20170313645-A1 FLUORINATED DIESTER COMPOUNDS AND THEIR USE IN HEAT TRANSFER SYSTEM MEXICHEM FLUOR S.A.DE C.V. (MX) 2017-11-02 US disclosed
US-8043599-B2 Method for fabricating a high specific surface area mesoporous alumina INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2011-10-25 US disclosed
US-20100111822-A1 Method for fabricating a high specific surface area mesoporous alumina INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-05-06 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 (1 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-20170313645-A1 FLUORINATED DIESTER COMPOUNDS AND THEIR USE IN HEAT TRANSFER SYSTEM FLI1, FNTB, HNF4A GAA 3990/4885TSHR 1593/4885POLB 408/4885

“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.