SCHEMBL6764077

SCHEMBL6764077

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
CYP3A4 P08684 1/20 0.40
VCAM1 P19320 10/20 0.39
PREP P48147 2/20 0.38
CELA1 Q9UNI1 1/20 0.38
POLB P06746 1/20 0.36
BACE1 P56817 1/20 0.36
CYP2C9 P11712 2/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
MIF P14174 1/20 0.36
TYR P14679 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL6308031 0.89 CYP3A4 (0.44) HTTHSD17B10KDM4ETP53GAA
SCHEMBL3600800 0.83 HSD17B10 (0.55) HTTHSD17B10KDM4ETP53GAA
SCHEMBL6768542 0.83 BACE1 (0.42) HTTHSD17B10KDM4ETP53GAA
SCHEMBL6768867 0.80 CYP3A4 (0.38) CYP3A4VCAM1PREPCELA1BACE1
SCHEMBL410920 0.80 CYP3A4 (0.41) CYP3A4VCAM1PREPCELA1BACE1
SCHEMBL10894208 0.80 ALOX15 (0.42) HTTHSD17B10KDM4ETP53GAA
SCHEMBL14580051 0.79 CYP1A2 (0.43) HTTHSD17B10KDM4ETP53GAA
SCHEMBL23321603 0.78 TDP1 (0.45) HTTHSD17B10KDM4ETP53GAA
SCHEMBL8407409 0.78 ALDH1A1 (0.48) ALDH1A1POLBLMNATYR
SCHEMBL11469755 0.78 GAA (0.44) HTTHSD17B10KDM4ETP53GAA

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 4 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

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 HTT 2598/4885HSD17B10 330/4885KDM4E 4048/4885

“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.