SCHEMBL4991111

SCHEMBL4991111

COc1ccc(CC(C)CC(CN)C(=O)O)c(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AOC3 Q16853 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
PKM P14618 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
LDHA P00338 1/20 0.37
PPARG P37231 1/20 0.36
CTSD P07339 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
SCHEMBL4992010 0.89 ALDH1A1 (0.46) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL4984435 0.88 AOC3 (0.43) KDM4ECYP2C19SMN1; SMN2POLBHSD17B10
SCHEMBL4989946 0.86 KDM4E (0.40) KDM4EHSD17B10ALDH1A1TDP1KMT2A
SCHEMBL4991207 0.85 AOC3 (0.41) KDM4ECYP2C19SMN1; SMN2POLBHSD17B10
SCHEMBL4988106 0.85 PPARA (0.42) KDM4ESMN1; SMN2AOC3ALDH1A1GAA
SCHEMBL4981494 0.82 CYP1A2 (0.46) POLBHSD17B10ALDH1A1GAATAAR1
SCHEMBL4985976 0.81 HTR2A (0.55) HSD17B10GAATAAR1KMT2AMEN1
SCHEMBL4994145 0.81 CYP1A2 (0.44) KDM4EHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL4989842 0.80 CYP1A2 (0.48) SMN1; SMN2HSD17B10KMT2AMEN1
SCHEMBL4992860 0.80 PPARG (0.37) KDM4ECYP2C19SMN1; SMN2HSD17B10ALDH1A1

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 3870/4885CYP2C19 2964/4885SMN1; SMN2 1368/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A KDM4E 3684/4885CYP2C19 3207/4885SMN1; SMN2 1347/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A KDM4E 3950/4885CYP2C19 2842/4885SMN1; SMN2 1393/4885

“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.