SCHEMBL4984075

SCHEMBL4984075

CCOc1ccc(CCC(CC)CC(CN)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PARP10 Q53GL7 1/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 0.38
PPARA Q07869 1/20 0.38
MMP2 P08253 1/20 0.38

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
SCHEMBL4987735 0.93 GRIK1 (0.40) ACACBSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4984125 0.89 PPARG (0.46) ALDH1A1FFAR1PPARAMMP2MMP3
SCHEMBL4989939 0.88 PPARG (0.40) ACACBSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4986569 0.87 ACACB (0.45) ACACBSMN1; SMN2POLBALDH1A1CYP2C9
SCHEMBL4987841 0.86 ACACB (0.47) ACACBSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4984233 0.86 CA1 (0.43) SMN1; SMN2ALDH1A1CYP2C9L3MBTL1MAPK1
SCHEMBL4986420 0.84 PPARG (0.50) FFAR1FFAR4PPARA
SCHEMBL4983822 0.84 PPARG (0.43) SMN1; SMN2POLBMAPTTDP1LMNA
SCHEMBL4987502 0.84 ANPEP (0.43) ALDH1A1CYP2C19L3MBTL1TDP1
SCHEMBL4992482 0.84 CYP1A2 (0.39) FFAR1L3MBTL1TDP1PPARAMMP2

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 ACACB 3202/4885SMN1; SMN2 1368/4885NPC1 3038/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ACACB 2053/4885SMN1; SMN2 1347/4885NPC1 3193/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ACACB 2884/4885SMN1; SMN2 1393/4885NPC1 3111/4885

“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.