SCHEMBL4993797

SCHEMBL4993797

CCOc1ccc(OCC)c(C(C)C(C)CC(CN)C(=O)O)c1OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CREBBP Q92793 1/20 0.35
TSHR P16473 2/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
KMT2A Q03164 1/20 0.33
GLA P06280 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL4981696 0.90 HSD17B10 (0.39) HSD17B10NPC1USP2RAB9ASMN1; SMN2
SCHEMBL4987467 0.88 HSD17B10 (0.36) HSD17B10NPC1USP2RAB9ASMN1; SMN2
SCHEMBL4989906 0.87 PTGS1 (0.42) HSD17B10NPC1USP2RAB9ASMN1; SMN2
SCHEMBL27665188 0.85 SLC7A5 (0.40) HSD17B10NPC1USP2RAB9ASMN1; SMN2
SCHEMBL4987748 0.84 PTGS1 (0.40) L3MBTL1KDM4ETSHRPPARGPTGS1
SCHEMBL4989670 0.84 HSD17B10 (0.37) HSD17B10NPC1USP2RAB9ASMN1; SMN2
SCHEMBL4984608 0.81 PTGS2 (0.39) HSD17B10NPC1USP2RAB9ASMN1; SMN2
SCHEMBL4989778 0.81 HSD17B10 (0.38) HSD17B10NPC1USP2RAB9ASMN1; SMN2
SCHEMBL4984180 0.80 TNF (0.41) HSD17B10NPC1USP2RAB9ASMN1; SMN2
SCHEMBL4992905 0.80 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1HPGDTSHR

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 HSD17B10 3555/4885NPC1 3038/4885USP2 2776/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A HSD17B10 3359/4885NPC1 3193/4885USP2 2243/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A HSD17B10 3509/4885NPC1 3111/4885USP2 2585/4885

“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.