Sugi Predict

Sugi Predict / Compounds / SCHEMBL4994965

SCHEMBL4994965

SCHEMBL4994965

CCOc1ccc(OCC)c(OCC)c1CCCC(C)CC(CN)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PPARG P37231 3/20 0.33
▸ PTGES O14684 2/20 0.33
▸ ALOX5 P09917 2/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ TAS1R3 Q7RTX0 2/20 0.33
▸ TAS1R1 Q7RTX1 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ GRIK1 P39086 1/20 0.32
▸ CYSLTR2 Q9NS75 3/20 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
SCHEMBL4989977 0.93 HSD17B10 (0.35) ALDH1A1HSD17B10KDM4EHPGDL3MBTL1
SCHEMBL4986399 0.89 PTGS1 (0.39) KDM4EL3MBTL1PPARGPTGESALOX5
SCHEMBL4984155 0.89 PPARG (0.34) ALDH1A1HSD17B10KDM4EHPGDL3MBTL1
SCHEMBL4981657 0.87 HSD17B10 (0.36) ALDH1A1HSD17B10KDM4EHPGDL3MBTL1
SCHEMBL4989942 0.87 HSD17B10 (0.36) ALDH1A1HSD17B10KDM4EHPGDL3MBTL1
SCHEMBL4992692 0.85 PTGES (0.44) ALDH1A1KDM4EHPGDL3MBTL1SMN1; SMN2
SCHEMBL4987368 0.84 PTGS2 (0.36) ALDH1A1HSD17B10KDM4ESMN1; SMN2NPC1
SCHEMBL4986531 0.84 PPARG (0.35) ALDH1A1HSD17B10KDM4EHPGDL3MBTL1
SCHEMBL4990098 0.83 PPARG (0.45) ALDH1A1SMN1; SMN2PPARGPTGESALOX5
SCHEMBL4992658 0.82 PPARG (0.35) ALDH1A1HSD17B10KDM4EHPGDL3MBTL1

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 ALDH1A1 1484/4885HSD17B10 3555/4885KDM4E 3870/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ALDH1A1 1627/4885HSD17B10 3359/4885KDM4E 3684/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ALDH1A1 1424/4885HSD17B10 3509/4885KDM4E 3950/4885

“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.