SCHEMBL6773530

SCHEMBL6773530

C=C(C)COc1cc2c(cc1C(C)(C)C)OC1(CCCCCC1)C2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HTR2B P41595 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTT P42858 1/20 0.30
ATM Q13315 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
SCHEMBL6767065 0.84 KDM4E (0.32) KDM4EALDH1A1HPGDHTR2BHTR2A
SCHEMBL6766736 0.80 KDM4E (0.30) KDM4EALDH1A1HPGDHTTATM
SCHEMBL6767081 0.69 KDM4E (0.31) KDM4EALDH1A1HTTATM
SCHEMBL6315032 0.63 KDM4E (0.35) KDM4EALDH1A1HTTATM
SCHEMBL6306457 0.63 KDM4E (0.35) KDM4EALDH1A1HTTATM
SCHEMBL6768175 0.63 KDM4E (0.38) KDM4EALDH1A1HPGDHTTATM
SCHEMBL6308630 0.63 KDM4E (0.35) KDM4EALDH1A1HTTATM
SCHEMBL6766768 0.63 KDM4E (0.32) KDM4EALDH1A1HTTATM
SCHEMBL6766921 0.63 KDM4E (0.33) KDM4EALDH1A1HPGDHTTATM
SCHEMBL6767205 0.62 ELANE (0.41) KDM4EALDH1A1HPGDATM

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 4048/4885ALDH1A1 7/4885HPGD 612/4885

“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.