SCHEMBL6234986

SCHEMBL6234986

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.61
ALDH1A1 P00352 11/20 0.61
SMN1; SMN2 Q16637 8/20 0.61
HSD17B10 Q99714 7/20 0.61
HPGD P15428 7/20 0.61
TP53 P04637 1/20 0.61
HTT P42858 1/20 0.61
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
MAPT P10636 5/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP1A2 P05177 1/20 0.56
LMNA P02545 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54

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
SCHEMBL6243382 0.88 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL27280522 0.88 KDM4E (0.74) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL6240452 0.87 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL7001218 0.87 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL7074007 0.85 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL4763073 0.84 KDM4E (0.78) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL5736633 0.84 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL6240428 0.83 MCL1 (0.66) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL3375173 0.83 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL28292562 0.83 KDM4E (0.58) 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 9 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
CN-1007153-B PREPN. OF BENZOTHIOPHENES AND BENZOFURANS HAVING ANTIALLERGY ACTIVITY WARNER LAMBERT CO (US) 1990-03-14 CN disclosed
US-4703053-A Benzothiophenes and benzofurans and antiallergic use thereof WARNER-LAMBERT COMPANY (US) 1987-10-27 US disclosed
CN-85109587-A Have the new benzothiophene kind of antiallergic activity and the preparation method of benzofuran compounds 1986-12-17 CN 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.