SCHEMBL14589

SCHEMBL14589

C=C1OB(c2ccc(C(CC)C(=O)OCC)cc2)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 4/20 0.31
KMT2A Q03164 4/20 0.31
LMNA P02545 1/20 0.31
F2 P00734 1/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 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
SCHEMBL13830761 0.87 PSEN1 (0.33) GAATDP1MEN1KMT2ALMNA
SCHEMBL13830958 0.85
SCHEMBL10670 0.82 LIPG (0.44) GAAF2
SCHEMBL13474635 0.74 LPL (0.38)
SCHEMBL13830860 0.73 PKM (0.35) L3MBTL1TDP1MEN1KMT2ALMNA
SCHEMBL13186080 0.71 LPL (0.34)
SCHEMBL12920108 0.71 HIF1A (0.35) L3MBTL1TDP1
SCHEMBL13165395 0.70 FFAR1 (0.32)
SCHEMBL12512630 0.70 LPL (0.33)
SCHEMBL12189219 0.69 LPL (0.39) F2

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 GAA 1192/4885KDM4E 4078/4885L3MBTL1 2315/4885

“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.