SCHEMBL5355131

SCHEMBL5355131

O=C(O)COCCOCCOCC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.35
EPHX2 P34913 2/20 0.35
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CES2 O00748 1/20 0.33
CTH P32929 1/20 0.32
CBS P35520 1/20 0.32
THPO P40225 1/20 0.32
PLA2G2C Q5R387 1/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL5346541 1.00 ALDH1A1 (0.38) ALDH1A1TSHRSMN1; SMN2HTTEPHX2
SCHEMBL4853751 1.00 ALDH1A1 (0.38) ALDH1A1TSHRSMN1; SMN2HTTEPHX2
SCHEMBL816275 0.86 ALDH1A1 (0.42) ALDH1A1TSHRSMN1; SMN2HTTCTH
SCHEMBL5346360 0.85 BLM (0.33) TSHRSMN1; SMN2BLMPMP22HSD17B10
SCHEMBL5356441 0.85 BLM (0.33) TSHRSMN1; SMN2BLMPMP22HSD17B10
SCHEMBL81956 0.81 HSD17B10 (0.46) ALDH1A1TSHRSMN1; SMN2EPHX2BLM
SCHEMBL20534906 0.81 HSD17B10 (0.46) ALDH1A1TSHRSMN1; SMN2EPHX2BLM
SCHEMBL14950228 0.81 HSD17B10 (0.46) ALDH1A1TSHRSMN1; SMN2EPHX2BLM
SCHEMBL6664456 0.81 HSD17B10 (0.46) ALDH1A1TSHRSMN1; SMN2EPHX2BLM
SCHEMBL6666413 0.81 HSD17B10 (0.46) ALDH1A1TSHRSMN1; SMN2EPHX2BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040067202-A1 Novel alkanoic acid derivaties GLAXO GROUP LIMITED (GB) 2004-04-08 US claimed
EP-1318973-A2 NOVEL ALKANOIC ACID DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-18 EP claimed
WO-2002024623-A2 NOVEL ALKANOIC ACID DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-03-28 WO claimed
US-7217409-B2 Alkanoic acid derivatives SMITHKLINE BEECHAM CORPORATION (US) 2007-05-15 US disclosed
US-20040067202-A1 Novel alkanoic acid derivaties GLAXO GROUP LIMITED (GB) 2004-04-08 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-20040067202-A1 Novel alkanoic acid derivaties ALK, FFAR1, FFAR3 ALDH1A1 87/4885TSHR 2123/4885SMN1; SMN2 1156/4885

“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.