SCHEMBL6241692

SCHEMBL6241692

CCOc1c(C(=O)O)oc2ccc(-c3ccccc3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 5/20 0.52
HPGD P15428 5/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.52
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
ANO1 Q5XXA6 2/20 0.43
CREB1 P16220 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PLA2G2A P14555 1/20 0.41

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
SCHEMBL6242074 0.87 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL6239909 0.86 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10ANO1
SCHEMBL9432934 0.83 RXRA (0.47) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL7001218 0.81 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL27280515 0.79 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL1444187 0.79 MCL1 (0.63) KDM4EALDH1A1HPGDL3MBTL1MEN1
SCHEMBL10374462 0.78 RXRA (0.47) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL10372061 0.78 FGFR1 (0.40) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL10007918 0.77 KDM4E (0.58) KDM4EMEN1GAAKMT2AMAPT
SCHEMBL10374396 0.77 PLA2G2A (0.47) KDM4EMAPK1CA12CA9MEN1

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 7 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 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
EP-0187487-B1 BENZOTHIOPHENES AND BENZOFURANS HAVING ANTIALLERGIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1990-08-29 EP disclosed
US-4703053-A Benzothiophenes and benzofurans and antiallergic use thereof WARNER-LAMBERT COMPANY (US) 1987-10-27 US disclosed
EP-0187487-A1 Benzothiophenes and benzofurans having antiallergic activity WARNER-LAMBERT COMPANY (US) 1986-07-16 EP 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 KDM4E 3961/4885ALDH1A1 642/4885HPGD 2276/4885

“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.