SCHEMBL14584

SCHEMBL14584

C=C1OB(c2cccc(CCC(=O)OC)c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.40
LPL P06858 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
PTPN1 P18031 2/20 0.34
BRD4 O60885 1/20 0.34
PDE4D Q08499 1/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
IDO1 P14902 1/20 0.33
CNR2 P34972 1/20 0.33
ALOX5 P09917 1/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL12961832 0.88 SLC7A5 (0.41) LIPGLPLCYP4F2CYP4A11TLR7
SCHEMBL10733 0.83 LIPG (0.58) LIPGLPLSIRT2PTPN1BRD4
SCHEMBL14302546 0.80 ROCK1 (0.34) PDE4D
SCHEMBL13181019 0.79 LIPG (0.42) LIPGLPL
SCHEMBL13348209 0.78 MTNR1A (0.32) ALDH1A1
SCHEMBL13831173 0.77 TSHR (0.36) PDE4DCYP4F2CYP4A11CA12CA7
SCHEMBL12350707 0.75 MAP4K4 (0.40) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL13313519 0.74 LIPG (0.35) LIPGLPLCYP4F2CYP4A11CA9
SCHEMBL12351159 0.73 ALDH1A1 (0.48) SIRT2KDM4EMEN1ALDH1A1POLB
SCHEMBL13363837 0.73 CA12 (0.37) CA12CA9KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 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-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 LIPG 90/4885LPL 85/4885SIRT2 2786/4885

“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.