SCHEMBL4994844

SCHEMBL4994844

COc1cccc(OC)c1C(C)C(C)CC(CN)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GRIK1 P39086 3/20 0.41
GRIK2 Q13002 3/20 0.41
GRIK3 Q13003 1/20 0.41
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ACHE P22303 2/20 0.38
ALDH1A1 P00352 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSD P07339 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4989906 0.86 PTGS1 (0.42) KMT2AKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL4994223 0.86 KDM4E (0.40) KMT2AKDM4EGRIK1GRIK2GRIK3
SCHEMBL4990987 0.86 KMT2A (0.44) KMT2AGRIK1GRIK2GRIK3CA1
SCHEMBL4991190 0.86 KMT2A (0.43) KMT2AKDM4EGRIK1GRIK2GRIK3
SCHEMBL4986359 0.85 PTPN1 (0.36) GRIK1GRIK2POLBSMN1; SMN2
SCHEMBL4989196 0.84 PPARG (0.40) GRIK1GRIK2
SCHEMBL4989075 0.84 ALDH1A1 (0.41) KMT2AKDM4EGRIK1GRIK2GRIK3
SCHEMBL27665435 0.83 GRIK1 (0.48) KMT2AKDM4EGRIK1GRIK2GRIK3
SCHEMBL4991432 0.81 SCN4A (0.34) L3MBTL1
SCHEMBL4994363 0.81 ANPEP (0.34) KDM4EGRIK1GRIK2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 US disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 US 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 (3 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 KMT2A 1674/4885KDM4E 3870/4885GRIK1 413/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A KMT2A 1763/4885KDM4E 3684/4885GRIK1 304/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A KMT2A 1678/4885KDM4E 3950/4885GRIK1 415/4885

“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.