SCHEMBL6766966

SCHEMBL6766966

CC(=O)Oc1c(C(C)C)cc2c(c1C(C)C)CC(C)(C)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 5/20 0.33
GAA P10253 4/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 3/20 0.32
GLA P06280 2/20 0.32
CASP1 P29466 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CASP7 P55210 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
LDHA P00338 1/20 0.31
LDHB P07195 1/20 0.31
AKR1B1 P15121 1/20 0.31
DRD1 P21728 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL6764105 0.84
SCHEMBL6764099 0.76 CA1 (0.36) ALDH1A1KDM4EMAPT
SCHEMBL28626480 0.73 LDHA (0.31) LDHALDHBAKR1B1
SCHEMBL28603468 0.72 DRD1 (0.38) TP53CYP3A4LDHALDHBAKR1B1
SCHEMBL6308873 0.72 MAPT (0.33) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL6768875 0.69 MAPT (0.33) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL9027682 0.68 MEN1 (0.34) KDM4ETP53CYP3A4
SCHEMBL9028993 0.68 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTLDHALDHB
SCHEMBL9028187 0.68 CA1 (0.36) ALDH1A1KDM4EMAPT
SCHEMBL4483958 0.66

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 ALDH1A1 7/4885KDM4E 4048/4885GAA 1044/4885

“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.