SCHEMBL4871561

SCHEMBL4871561

C/C(=C\c1ccc(C(C)(C)C)cc1)CC(O)(P=O)C(CCC(N)=O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
KLF5 Q13887 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
ESRRG P62508 1/20 0.31
KIF11 P52732 1/20 0.31
TNIK Q9UKE5 1/20 0.30
MCL1 Q07820 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
SCHEMBL4869164 0.87 NPC1 (0.34) RAB9ASMN1; SMN2GRIK1GRIK2
SCHEMBL4874757 0.85 PTGS1 (0.34) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4871572 0.83 ALDH1A1 (0.32) ALDH1A1CYP1A2TP53RAB9AKLF5
SCHEMBL4871554 0.83 ALDH1A1 (0.32) ALDH1A1CYP1A2TP53RAB9AKLF5
SCHEMBL4874130 0.77 KMT2A (0.31)
SCHEMBL4875397 0.71 ALOX15 (0.37)
SCHEMBL4869170 0.70 RAB9A (0.34) ALDH1A1RAB9ASMN1; SMN2GRIK1GRIK2
SCHEMBL4869162 0.70 RAB9A (0.34) ALDH1A1RAB9ASMN1; SMN2GRIK1GRIK2
SCHEMBL4871551 0.70 GRM3 (0.37) GRIK1GRIK2
SCHEMBL4874766 0.69 PTGS1 (0.34) ALDH1A1RAB9ASMN1; SMN2

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 ALDH1A1 1539/4885CYP1A2 4756/4885TP53 1534/4885

“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.