SCHEMBL6240217

SCHEMBL6240217

COc1c(C(=O)O)oc2cc3ccccc3cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.51
ALDH1A1 P00352 7/20 0.51
EDNRA P25101 2/20 0.45
HPGD P15428 6/20 0.44
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 3/20 0.42
CYP3A4 P08684 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL6241006 0.83 MAPT (0.44) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL1760957 0.81 CA12 (0.56) KDM4EALDH1A1EDNRAHPGDMAPT
SCHEMBL6243382 0.80 KDM4E (0.73) KDM4EALDH1A1HPGDMAPTCYP3A4
SCHEMBL6234986 0.80 KDM4E (0.61) KDM4EALDH1A1EDNRAHPGDMAPT
SCHEMBL6239909 0.79 KDM4E (0.45) KDM4EALDH1A1EDNRAHPGDMAPT
SCHEMBL10370983 0.78 GPR35 (0.44) KDM4EALDH1A1HPGDMAPTCYP3A4
SCHEMBL6240428 0.76 MCL1 (0.66) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL6466933 0.74 ABCG2 (0.63) KDM4EALDH1A1EDNRAHPGDNPSR1
SCHEMBL10373632 0.74 RAB9A (0.43) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL8713025 0.72 KDM4E (0.42) KDM4EALDH1A1EDNRAHPGDMAPT

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 5 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-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 642/4885EDNRA 3922/4885

“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.