SCHEMBL6773459

SCHEMBL6773459

CC(=O)Oc1c(C(C)(C)C)cc(O)c(C(O)C(C)C)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX15 P16050 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
ATP2A2 P16615 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATP2A3 Q93084 1/20 0.34
VCAM1 P19320 6/20 0.33
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32
AKR1B1 P15121 1/20 0.32
PREP P48147 2/20 0.32
CELA1 Q9UNI1 2/20 0.32
POLB P06746 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL8368654 0.75 KDM4E (0.40) KDM4EMAPTTP53GAAHTT
SCHEMBL6764396 0.74 MAPT (0.37) KDM4EMAPTTP53GAAHTT
SCHEMBL8368603 0.74 VCAM1 (0.32) KDM4EMAPTTP53GAAHTT
SCHEMBL9028145 0.71 KDM4E (0.35) KDM4EMAPTTP53GAAHTT
SCHEMBL6764277 0.71 AKR1B1 (0.36) KDM4EMAPTTP53GAAHTT
SCHEMBL9026764 0.70 KDM4E (0.39) KDM4EMAPTTP53GAAHTT
SCHEMBL8407409 0.70 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL6308031 0.70 CYP3A4 (0.44) KDM4EMAPTTP53GAAHTT
SCHEMBL6309394 0.70 GAA (0.38) TP53GAAALOX15VCAM1
SCHEMBL6768867 0.69 CYP3A4 (0.38) VCAM1PREPCELA1CYP3A4

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 KDM4E 4048/4885MAPT 4260/4885TP53 1870/4885

“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.