SCHEMBL7583311

SCHEMBL7583311

CC1CCC(O)(C(CC(O)[CH]Cc2cccc(C(C)(O)C(N)=O)c2)C(N)=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
HTT P42858 1/20 0.32
EPHX1 P07099 6/20 0.32
CYP1A2 P05177 1/20 0.30

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
SCHEMBL4236693 0.78
SCHEMBL4070843 0.78 CCR1 (0.39) HTTEPHX1
SCHEMBL7583317 0.76 CYP2C19 (0.37) CYP2C19CYP2C9HTTEPHX1CYP1A2
SCHEMBL7581837 0.74 SMN1; SMN2 (0.37) CYP2C19
SCHEMBL4065712 0.74 SMN1; SMN2 (0.37) CYP2C19
SCHEMBL4063930 0.74 CCR1 (0.34)
SCHEMBL4069430 0.73 EPHX1 (0.38) EPHX1
SCHEMBL4058962 0.73 EPHX1 (0.39) EPHX1
SCHEMBL4060331 0.72 CCR1 (0.35) CYP2C19
SCHEMBL4067877 0.72 CCR1 (0.35)

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-20020198207-A1 Novel Hexanoic acid derivatives KATH JOHN CHARLES (US) 2002-12-26 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-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 CYP2C19 3140/4885CYP2C9 1975/4885HTT 3357/4885

“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.