SCHEMBL6240452

SCHEMBL6240452

COc1ccc2oc(C(=O)O)c(OC(C)C)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.53
ALDH1A1 P00352 12/20 0.53
SMN1; SMN2 Q16637 9/20 0.51
HSD17B10 Q99714 5/20 0.51
HPGD P15428 5/20 0.51
TP53 P04637 2/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
MAPT P10636 4/20 0.50
CYP2C9 P11712 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ICAM1 P05362 2/20 0.48
SELE P16581 2/20 0.48

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
SCHEMBL10373466 0.89 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL5735828 0.89 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL9433482 0.88 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL9433674 0.88 ICAM1 (0.56) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL6234986 0.87 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL4770336 0.87 NPC1 (0.53) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL6239679 0.85 GAA (0.57) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL9432874 0.82 MCL1 (0.61) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL9432912 0.82 EDNRA (0.60) KDM4EHTTMEN1KMT2ALMNA
SCHEMBL7001218 0.81 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD

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 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
US-5350748-A 3-thio or amino substituted-benzo[b]thiophene-2-carboxamides and 3-oxygen, thio, or amino substituted-benzofuran-2-carboxamides as inhibitors of cell adhesion WARNER-LAMBERT COMPANY (US) 1994-09-27 US 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 642/4885SMN1; SMN2 582/4885

“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.