SCHEMBL4986480

SCHEMBL4986480

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
PTGS2 P35354 3/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HIF1A Q16665 1/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX1 P07099 2/20 0.37
PLAU P00749 1/20 0.36

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
SCHEMBL4986597 0.90 AKR1C3 (0.43) AKR1C3AKR1C2KDM4ESMN1; SMN2LMNA
SCHEMBL4987854 0.88 AKR1C3 (0.45) AKR1C3AKR1C2KDM4ESMN1; SMN2LMNA
SCHEMBL27665757 0.85 AKR1C3 (0.45) AKR1C3AKR1C2KDM4ESMN1; SMN2LMNA
SCHEMBL4984608 0.85 PTGS2 (0.39) AKR1C3AKR1C2KDM4ESMN1; SMN2LMNA
SCHEMBL4994058 0.84 TSHR (0.39) AKR1C3AKR1C2KDM4ESMN1; SMN2LMNA
SCHEMBL4989932 0.84 ADRA1A (0.45) AKR1C3AKR1C2LMNATP53PTGS2
SCHEMBL4981326 0.84 KDM4E (0.44) AKR1C3AKR1C2KDM4ESMN1; SMN2LMNA
SCHEMBL4992905 0.84 L3MBTL1 (0.43) KDM4ELMNAPTGS2ALDH1A1L3MBTL1
SCHEMBL4990883 0.82 AKR1C3 (0.47) AKR1C3AKR1C2LMNAPTGS2ALDH1A1
SCHEMBL4987467 0.81 HSD17B10 (0.36) KDM4ESMN1; SMN2LMNAPTGS2ALDH1A1

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