SCHEMBL4983452

SCHEMBL4983452

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CREBBP Q92793 1/20 0.36
TSHR P16473 3/20 0.35
GLA P06280 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33
TNF P01375 1/20 0.32
TAS1R3 Q7RTX0 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
SCHEMBL4990842 0.89 L3MBTL1 (0.38) HSD17B10L3MBTL1PPARGPPARDPPARA
SCHEMBL4989670 0.87 HSD17B10 (0.37) HSD17B10NPC1USP2RAB9ASMN1; SMN2
SCHEMBL4989778 0.87 HSD17B10 (0.38) HSD17B10NPC1USP2RAB9ASMN1; SMN2
SCHEMBL27644762 0.84 HSD17B10 (0.38) HSD17B10NPC1USP2RAB9ASMN1; SMN2
SCHEMBL4987467 0.84 HSD17B10 (0.36) HSD17B10NPC1USP2RAB9ASMN1; SMN2
SCHEMBL4987704 0.82 AOC3 (0.42) HSD17B10PPARGPPARDPPARAKDM4E
SCHEMBL4989763 0.82 L3MBTL1 (0.44) L3MBTL1KDM4EALDH1A1HPGDGLA
SCHEMBL4990841 0.81 AKR1C3 (0.41) HSD17B10NPC1USP2RAB9ASMN1; SMN2
SCHEMBL4981326 0.81 KDM4E (0.44) HSD17B10NPC1USP2RAB9ASMN1; SMN2
SCHEMBL4991370 0.81 TNF (0.42) HSD17B10NPC1USP2RAB9ASMN1; 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 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.