SCHEMBL4990671

SCHEMBL4990671

CCOc1ccc(CC(CC)CC(CN)C(=O)O)c(OCC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
PPARG P37231 6/20 0.38
PPARD Q03181 5/20 0.38
PPARA Q07869 5/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
EPHX1 P07099 1/20 0.36
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PARP10 Q53GL7 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL4983999 0.91 PPARG (0.44) KDM4EAKR1C3AKR1C2PPARGPPARD
SCHEMBL4986607 0.89 TSHR (0.40) KDM4EAKR1C3AKR1C2PPARGPPARD
SCHEMBL4986468 0.87 AKR1C3 (0.42) KDM4EAKR1C3AKR1C2PPARGPPARD
SCHEMBL4989831 0.87 TSHR (0.43) KDM4EAKR1C3AKR1C2PPARGPPARD
SCHEMBL4984167 0.85 TSHR (0.37) KDM4EPPARGPPARDPPARALMNA
SCHEMBL4990584 0.85 PPARA (0.43) AKR1C3AKR1C2PPARGPPARDPPARA
SCHEMBL4989712 0.84 CPB2 (0.35) KDM4EAKR1C3AKR1C2PPARGPPARD
SCHEMBL4991379 0.84 L3MBTL1 (0.41) KDM4EPPARGPPARDPPARAMAPT
SCHEMBL4986149 0.82 PPARG (0.39) KDM4EPPARGPPARDPPARAALDH1A1
SCHEMBL4986508 0.82 PPARG (0.45) KDM4EAKR1C3AKR1C2PPARGPPARD

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 3870/4885AKR1C3 4710/4885AKR1C2 4233/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A KDM4E 3684/4885AKR1C3 4658/4885AKR1C2 4077/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A KDM4E 3950/4885AKR1C3 4657/4885AKR1C2 4126/4885

“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.