SCHEMBL6768274

SCHEMBL6768274

CC(=O)Oc1c(C(C)C)cc(O)cc1C(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.42
CELA1 Q9UNI1 2/20 0.42
CYP3A4 P08684 1/20 0.40
BACE1 P56817 1/20 0.40
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CYP1A2 P05177 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL5042710 0.89 HTT (0.45) PREPCELA1CYP3A4BACE1GAA
SCHEMBL6768867 0.86 CYP3A4 (0.38) PREPCELA1CYP3A4BACE1
SCHEMBL17935193 0.86 CA1 (0.46) PREPCELA1BACE1HTTCA1
SCHEMBL8176820 0.84 FABP3 (0.52) HTTGABRA1
SCHEMBL9029438 0.84 BACE1 (0.47) CYP3A4BACE1HTTKDM4ETP53
SCHEMBL17935202 0.83 CA1 (0.61) PREPCELA1GAACA1CA2
SCHEMBL29113877 0.82 HTT (0.38) BACE1GAAHTTKDM4ETP53
SCHEMBL1928602 0.82 GABRA1 (0.40) HTTCYP1A2ADRA2ACYP2D6PKM
SCHEMBL9090807 0.81 THRA (0.45) BACE1GAAKDM4EHSD17B10GABRA1
SCHEMBL9270934 0.79 FNTA (0.42) CYP3A4HTTKDM4ETP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686389-B2 KIDNEY DISEASE, ORGAN TRANSPLANT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-02-03 US disclosed
US-20020156296-A1 2,3-dihydrobenzofuran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-10-24 US disclosed
US-6403639-B1 POTENT CYTOPROTECTIVE AGENT WHICH INHIBITS LIPID-PEROXIDATION FOR PREVENTION AND TREATMENT OF VARIOUS RENAL DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-06-11 US disclosed
EP-0995437-A1 2,3-DIHYDROBENZOFURAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-04-26 EP disclosed
EP-0445827-B1 4-Hydroxytetrahydropyran-2-one derivatives useful as cholesterol and lipid reducing agents FUJIREBIO KK (JP) 1996-09-25 EP disclosed
US-5149834-A Anticholesterol agent and enzyme inhibitors, for curing arteriosclerosis FUJIREBIO INC. (JP) 1992-09-22 US disclosed
EP-0445827-A2 4-Hydroxytetrahydropyran-2-one derivatives useful as cholesterol and lipid reducing agents FUJIREBIO INC. (JP) 1991-09-11 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-20020156296-A1 2,3-dihydrobenzofuran derivatives CBR1, CYP2F1, NDUFAF2 PREP 4121/4885CELA1 916/4885CYP3A4 1417/4885

“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.