SCHEMBL4986115

SCHEMBL4986115

Cc1cc(C)c(C)c(C(C)C(C)CC(CN)C(=O)O)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
GRM1 Q13255 1/20 0.33
LMNA P02545 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP2C19 P33261 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL4986495 0.86 LMNA (0.33) KDM4EALDH1A1HTTLMNASLC6A2
SCHEMBL4987604 0.84 SLC6A2 (0.38) KDM4EALDH1A1HTTLMNASLC6A2
SCHEMBL4992940 0.83 ALDH1A1 (0.38) KDM4EALDH1A1GRM1CYP2C19MAPK1
SCHEMBL4989183 0.83 ALDH1A1 (0.40) ALDH1A1LMNACYP2C19MAPK1
SCHEMBL27644337 0.83 SLC7A5 (0.41) KDM4EALDH1A1HTTGRM1
SCHEMBL4986464 0.81 HTT (0.34) KDM4EALDH1A1HTTLMNASLC6A2
SCHEMBL4987259 0.81 CYP1A2 (0.33) KDM4EALDH1A1LMNASLC6A2CYP2C19
SCHEMBL4992324 0.80 PTGS2 (0.35) KDM4EALDH1A1HTTSLC6A2SLC6A4
SCHEMBL4992591 0.79 GRM1 (0.33) ALDH1A1GRM1CYP2C19
SCHEMBL4989209 0.77 MME (0.38) KDM4EALDH1A1

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 3870/4885ALDH1A1 1484/4885HTT 1941/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A KDM4E 3684/4885ALDH1A1 1627/4885HTT 2001/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A KDM4E 3950/4885ALDH1A1 1424/4885HTT 2005/4885

“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.