SCHEMBL6842296

SCHEMBL6842296

CC(C)(C)OC(=O)NC(CCC(=O)O)C(=O)OC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.48
CTSK P43235 3/20 0.47
CTSS P25774 2/20 0.47
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ITGB3 P05106 11/20 0.43
ITGA2B P08514 11/20 0.43

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
SCHEMBL30089915 1.00 CACNA1B (0.48) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL192185 0.99 CACNA1B (0.48) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL376117 0.99 CACNA1B (0.48) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL4233928 0.99 CACNA1B (0.48) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL29050983 0.90 CACNA1B (0.53) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL29050985 0.90 CACNA1B (0.53) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL26895103 0.89 CACNA1B (0.53) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL26296033 0.89 CACNA1B (0.49) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL30445735 0.87 CACNA1B (0.55) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL14066376 0.86 CACNA1B (0.44) CACNA1BCTSKCTSSHDAC4HDAC1

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-20040247639-A1 Novel methods and compositions for the treatment or prevention of dysmenorrhoea and menstrual side effects: the use of phospholipase inhibitors QUEENSLAND, THE UNIVERSITY OF (AU) 2004-12-09 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-20040247639-A1 Novel methods and compositions for the treatment or prevention of dysmenorrhoea and menstrual side effects: the use of phospholipase inhibitors PLA2G12A, PLA2G1B, PLA2G2E CACNA1B 415/4885CTSK 663/4885CTSS 687/4885

“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.