SCHEMBL6764277

SCHEMBL6764277

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.36
KDM4E B2RXH2 4/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 3/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
USP2 O75604 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
THRB P10828 2/20 0.34
HPGD P15428 2/20 0.34
ALOX12 P18054 2/20 0.34
MAPK1 P28482 2/20 0.34
BLM P54132 2/20 0.34
KMT2A Q03164 2/20 0.34
MCL1 Q07820 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL6307528 0.82 MAPT (0.36) KDM4EMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL6764396 0.82 MAPT (0.37) KDM4EMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL6767136 0.82 MAPT (0.36) AKR1B1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL6766773 0.76 MAPT (0.33) AKR1B1KDM4EMAPTALDH1A1GAA
SCHEMBL5984202 0.71 FNTA (0.42) KDM4EMAPTSMN1; SMN2MEN1LMNA
SCHEMBL6773459 0.71 KDM4E (0.35) AKR1B1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL6768867 0.71 CYP3A4 (0.38) VCAM1CYP3A4
SCHEMBL7853750 0.70 GABBR2 (0.49) ALDH1A1GAANPSR1TDP1CYP1A2
SCHEMBL6308031 0.69 CYP3A4 (0.44) KDM4EMAPTALDH1A1SMN1; SMN2GAA
Methoxymethane SCHEMBL27439178 0.69 TUBB4A (0.35) KDM4EMAPTALDH1A1SMN1; SMN2GAA

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 AKR1B1 124/4885KDM4E 4048/4885MAPT 4260/4885

“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.