SCHEMBL4989059

SCHEMBL4989059

COc1ccc(CCC(C)C(CN)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
LDHA P00338 1/20 0.50
TAAR1 Q96RJ0 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.46
F2RL1 P55085 1/20 0.45
MAOB P27338 2/20 0.44
FFAR1 O14842 1/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
MMP3 P08254 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4990742 0.85 LDHA (0.61) LDHASMN1; SMN2
SCHEMBL4989663 0.83 TSHR (0.49) ALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL5365696 0.81 LDHA (0.54) ALDH1A1LDHATAAR1SMN1; SMN2HTT
SCHEMBL17873232 0.79 LDHA (0.59) ALDH1A1LDHASMN1; SMN2HTTF2RL1
SCHEMBL28126646 0.78 LDHA (0.68) ALDH1A1LDHATAAR1SMN1; SMN2HTT
SCHEMBL4990603 0.78 ALDH1A1 (0.48) ALDH1A1LDHATAAR1SMN1; SMN2HTT
SCHEMBL18071078 0.77 KIF11 (0.57) ALDH1A1LDHATAAR1SMN1; SMN2F2RL1
SCHEMBL6942606 0.77 KIF11 (0.57) ALDH1A1LDHATAAR1SMN1; SMN2F2RL1
SCHEMBL6950447 0.77 KIF11 (0.57) ALDH1A1LDHATAAR1SMN1; SMN2F2RL1
SCHEMBL7676917 0.75 LDHA (0.59) ALDH1A1LDHASMN1; SMN2HTTF2RL1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP claimed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO 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 1484/4885LDHA 1974/4885TAAR1 1437/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ALDH1A1 1627/4885LDHA 1818/4885TAAR1 1172/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ALDH1A1 1424/4885LDHA 1743/4885TAAR1 1489/4885

“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.