SCHEMBL4986408

SCHEMBL4986408

CC(C1CCCCC1)C(CN)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX1 P07099 4/20 0.43
MEN1 O00255 1/20 0.38
MITF O75030 1/20 0.38
KMT2A Q03164 1/20 0.38
CPB2 Q96IY4 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 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
SCHEMBL4983798 0.98 ALDH1A1 (0.47) ALDH1A1TP53KDM4EGMNNLMNA
SCHEMBL4991489 0.92 ALDH1A1 (0.40) ALDH1A1TP53KDM4EGMNNLMNA
SCHEMBL2180612 0.82 SHBG (0.45) ALDH1A1SMN1; SMN2EPHX1CYP2C9CYP2C19
SCHEMBL8735981 0.77 EPHX1 (0.43) ALDH1A1MAPTSMN1; SMN2EPHX1CYP2C9
SCHEMBL3151677 0.77 SMN1; SMN2 (0.41) SMN1; SMN2EPHX1CA2
SCHEMBL4987825 0.77 CPB2 (0.43) ALDH1A1CPB2
SCHEMBL14424067 0.75 EPHX2 (0.41) ALDH1A1TP53LMNASMN1; SMN2EPHX1
SCHEMBL1734359 0.74 ALDH1A1 (0.41) ALDH1A1TP53SMN1; SMN2EPHX1CYP2C9
SCHEMBL28014448 0.74 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2EPHX1CYP2C9CYP2C19
SCHEMBL4992438 0.74 METAP1 (0.42) ALDH1A1CPB2

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 8 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
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP 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
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO 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 1484/4885TP53 4213/4885KDM4E 3870/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ALDH1A1 1627/4885TP53 4527/4885KDM4E 3684/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ALDH1A1 1424/4885TP53 4288/4885KDM4E 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.