SCHEMBL5350330

SCHEMBL5350330

O=C(O)COCCOCCOCCCC(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CES2 O00748 1/20 0.38
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5358419 1.00 MEN1 (0.38) MEN1KMT2ACES2HDAC1HDAC2
SCHEMBL5246328 0.96 CES2 (0.40) MEN1KMT2ACES2HDAC1HDAC2
SCHEMBL5245265 0.89 CES2 (0.46) MEN1KMT2ACES2HDAC1HDAC2
SCHEMBL27297810 0.82 CES2 (0.41) CES2HDAC1HDAC2EPHX2CYP2C19
SCHEMBL5251554 0.81 ALDH1A1 (0.50) MEN1KMT2AHDAC1HDAC2PMP22
SCHEMBL5346360 0.80 BLM (0.33) CES2BLMPMP22HSD17B10TSHR
SCHEMBL5356441 0.80 BLM (0.33) CES2BLMPMP22HSD17B10TSHR
SCHEMBL23405393 0.77 CES2 (0.46) MEN1KMT2ACES2EPHX2CYP2C19
SCHEMBL20534923 0.77 EPHX2 (0.42) MEN1KMT2ACES2HDAC1HDAC2
SCHEMBL22922080 0.76 CES2 (0.44) CES2HDAC1HDAC2EPHX2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217409-B2 Alkanoic acid derivatives SMITHKLINE BEECHAM CORPORATION (US) 2007-05-15 US claimed
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
EP-1318973-A2 NOVEL ALKANOIC ACID DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-18 EP disclosed
WO-2002024623-A2 NOVEL ALKANOIC ACID DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-03-28 WO 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 MEN1 2802/4885KMT2A 3498/4885CES2 1729/4885

“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.