SCHEMBL6238514

SCHEMBL6238514

CCOc1cccc2coc(C(=O)O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 6/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
PABPC1 P11940 1/20 0.42
EDNRA P25101 2/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
POLB P06746 4/20 0.41
RECQL P46063 2/20 0.41
NSD2 O96028 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
HSD17B10 Q99714 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL1285867 0.83 EDNRA (0.55) L3MBTL1MAPTKDM4EMEN1KMT2A
SCHEMBL10933442 0.77 USP2 (0.45) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL11683237 0.76 MAOB (0.50) MAPTKMT2ALMNANPC1RAB9A
SCHEMBL3612478 0.73 EDNRA (0.73) L3MBTL1MAPTKDM4EMEN1KMT2A
SCHEMBL3826271 0.71 MAPT (0.50) L3MBTL1GLAMAPTKDM4EMEN1
SCHEMBL11685415 0.71 LMNA (0.48) MAPTKDM4EMEN1KMT2AEDNRA
SCHEMBL2897570 0.71 CHRNA7 (0.53) L3MBTL1GLAMAPTKDM4EMEN1
SCHEMBL1672245 0.70 CA12 (0.61) L3MBTL1GLAMAPTTDP1ALDH1A1
SCHEMBL9219106 0.69 HNF4A (0.42) L3MBTL1MAPTMEN1KMT2ATDP1
Bicarbonate SCHEMBL28340995 0.68 ALDH1A1 (0.67) L3MBTL1GLAKDM4ETDP1ALDH1A1

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
EP-1320523-B1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER LAMBERT CO (US) 2005-06-22 EP claimed
US-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY LLC 2005-01-06 US claimed
EP-1320523-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Warner-Lambert Company LLC (US) 2003-06-25 EP claimed
WO-2002024672-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY LLC (US) 2002-03-28 WO claimed
EP-1320523-B1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER LAMBERT CO (US) 2005-06-22 EP disclosed
US-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY LLC 2005-01-06 US disclosed
EP-1320523-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Warner-Lambert Company LLC (US) 2003-06-25 EP disclosed
WO-2002024672-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY LLC (US) 2002-03-28 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 (1 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-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases BCAT1, BCAT2, ABAT L3MBTL1 366/4885GLA 209/4885MAPT 5/4885

“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.