SCHEMBL6768191

SCHEMBL6768191

COc1ccc(OC(=O)C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
ELANE P08246 12/20 0.50
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
LPAR1 Q92633 1/20 0.44
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL25307457 0.87 ALDH1A1 (0.55) ALDH1A1GAACA1CA2LPAR1
SCHEMBL13688321 0.85 ALDH1A1 (0.54) ALDH1A1GAACA1CA2LPAR1
SCHEMBL25261611 0.84 ALDH1A1 (0.52) ALDH1A1GAACA1CA2LPAR1
SCHEMBL20548878 0.83 ALDH1A1 (0.51) ALDH1A1GAACA1CA2LPAR1
SCHEMBL20548872 0.83 KMT2A (0.56) ALDH1A1GAACA1CA2RARA
SCHEMBL19719006 0.82 ELANE (0.51) ALDH1A1GAAELANEMAPTHTT
SCHEMBL20548732 0.81 GAA (0.50) ALDH1A1GAACA1CA2LPAR1
SCHEMBL644877 0.81 ALDH1A1 (0.47) ALDH1A1GAACA1CA2LPAR1
SCHEMBL20548757 0.80 GAA (0.49) ALDH1A1GAACA1CA2LPAR1
SCHEMBL20657880 0.80 ALDH1A1 (0.49) ALDH1A1GAAELANECA1CA2

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 7/4885GAA 1044/4885ELANE 1395/4885

“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.