SCHEMBL4869170

SCHEMBL4869170

CC(=Cc1ccc(C(C)C)cc1)CC(O)([PH2]=O)C(CCC(N)=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
USP5 P45974 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL4869162 1.00 RAB9A (0.34) RAB9ASMN1; SMN2NPC1POLBGRIK1
SCHEMBL4874766 0.88 PTGS1 (0.34) RAB9ASMN1; SMN2NPC1POLBCYP2C9
SCHEMBL4874754 0.88 PTGS1 (0.34) RAB9ASMN1; SMN2NPC1POLBCYP2C9
SCHEMBL4871554 0.87 ALDH1A1 (0.32) RAB9ASMN1; SMN2NPC1GRIK1GRIK2
SCHEMBL4871572 0.87 ALDH1A1 (0.32) RAB9ASMN1; SMN2NPC1GRIK1GRIK2
SCHEMBL4869164 0.83 NPC1 (0.34) RAB9ASMN1; SMN2NPC1POLBGRIK1
SCHEMBL4874127 0.81 KMT2A (0.31)
SCHEMBL4874133 0.81 KMT2A (0.31)
SCHEMBL4874757 0.71 PTGS1 (0.34) RAB9ASMN1; SMN2NPC1POLBCYP2C9
SCHEMBL4868908 0.71 GRIK1 (0.38) NPC1GRIK1GRIK2

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-7402576-B2 Phosphinic acid analogs of glutamate GIVAUDAN SA (CH) 2008-07-22 US disclosed
EP-1599487-B1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE GIVAUDAN SA (CH) 2007-07-11 EP disclosed
US-20060052616-A1 Phosphinic acid analogs of glutamate GIVAUDAN SA (CH) 2006-03-09 US disclosed
EP-1599487-A1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE Givaudan SA (CH) 2005-11-30 EP disclosed
WO-2004043971-A1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE GIVAUDAN SA (CH) 2004-05-27 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-20060052616-A1 Phosphinic acid analogs of glutamate GLUL, GRIA1, GRM1 RAB9A 1098/4885SMN1; SMN2 3617/4885NPC1 4695/4885

“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.