SCHEMBL4989946

SCHEMBL4989946

COc1ccc(OC)c(OC)c1CC(C)CC(CN)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LDHA P00338 1/20 0.38
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRIK3 Q13003 1/20 0.34
PPARA Q07869 3/20 0.34
PPARD Q03181 2/20 0.34
TUBB1 Q9H4B7 2/20 0.33
KMT2A Q03164 1/20 0.33
STING1 Q86WV6 1/20 0.33
PPARG P37231 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ACHE P22303 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33

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
SCHEMBL4986858 0.87 KDM4E (0.38) KDM4EHSD17B10LDHAGRIK1GRIK2
SCHEMBL4987052 0.86 KMT2A (0.41) KDM4ELDHAGRIK1GRIK2GRIK3
SCHEMBL4991111 0.86 KDM4E (0.41) KDM4EHSD17B10LDHATDP1PPARA
SCHEMBL4983512 0.85 KDM4E (0.37) KDM4EHSD17B10LDHAGRIK1GRIK2
SCHEMBL4991755 0.85 PPARA (0.38) KDM4EHSD17B10LDHAGRIK1GRIK2
SCHEMBL4992010 0.82 ALDH1A1 (0.46) KDM4ETDP1KMT2AALDH1A1
SCHEMBL4989768 0.80 PTPN1 (0.39) LDHAGRIK1GRIK2
SCHEMBL4984045 0.80 KDM4E (0.42) KDM4EHSD17B10LDHAGRIK1GRIK2
SCHEMBL4989942 0.80 HSD17B10 (0.36) KDM4EHSD17B10PPARAPPARDPPARG
SCHEMBL4992932 0.79 LDHA (0.61) KDM4ELDHAGRIK1GRIK2PPARA

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 KDM4E 3870/4885HSD17B10 3555/4885LDHA 1974/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A KDM4E 3684/4885HSD17B10 3359/4885LDHA 1818/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A KDM4E 3950/4885HSD17B10 3509/4885LDHA 1743/4885

“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.