SCHEMBL6331981

SCHEMBL6331981

O=C(CC(Cc1ccccc1)C(=O)O)c1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 7/20 0.57
CPA3 P15088 2/20 0.57
CPB1 P15086 1/20 0.57
CPB2 Q96IY4 1/20 0.57
CYP1A2 P05177 1/20 0.54
PTPN1 P18031 1/20 0.51
MME P08473 1/20 0.50
KMO O15229 1/20 0.50
FOLH1 Q04609 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
ANPEP P15144 1/20 0.48
RNPEP Q9H4A4 1/20 0.48
DNPEP Q9ULA0 1/20 0.48
HRH4 Q9H3N8 1/20 0.47

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
SCHEMBL27584150 0.78 PTPN1 (0.57) CYP1A2PTPN1NR4A1NR4A2NR4A3
SCHEMBL11154852 0.77 PTPN1 (0.56) CYP1A2PTPN1NR4A1NR4A2NR4A3
SCHEMBL7352579 0.77 CYP1A2 (0.65) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL10389827 0.76 CPA1 (0.53) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7320860 0.76 CPA1 (0.53) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7315538 0.76 TSHR (0.75) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL3104186 0.76 TSHR (0.75) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL3282190 0.76 PTPN1 (0.62) CYP1A2PTPN1NR4A1NR4A2NR4A3
SCHEMBL4109693 0.74 PTPN1 (0.61) CYP1A2PTPN1NR4A1NR4A2NR4A3
SCHEMBL9000004 0.74 PTPN1 (0.61) CYP1A2PTPN1NR4A1NR4A2NR4A3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050070553-A1 Pharmaceutical composition comprising an alpha-glucosidase inhibitor and a 4-oxobutanoic acid, and the use thereof for treating diabetes MERCK PATENT GMBH (DE) 2005-03-31 US 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-20050070553-A1 Pharmaceutical composition comprising an alpha-glucosidase inhibitor and a 4-oxobutanoic acid, and the use thereof for treating diabetes GANAB, GAA, GANC CPA1 376/4885CPA3 565/4885CPB1 254/4885

“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.