SCHEMBL6313672

SCHEMBL6313672

CC(C)(C)c1cc2c(cc1O)CC1(CCCCCC1)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALOX15 P16050 4/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
ATP2A2 P16615 1/20 0.40
ATP2A3 Q93084 1/20 0.40
HTT P42858 2/20 0.37
ATM Q13315 1/20 0.37
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NR1I2 O75469 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL4462820 0.84 ALOX15 (0.41) KDM4EALOX15ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL6764276 0.78 ALDH1A1 (0.45) KDM4EALOX15ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL6773530 0.75 KDM4E (0.34) KDM4EALDH1A1HTTATMHPGD
SCHEMBL6308630 0.74 KDM4E (0.35) KDM4EALDH1A1SMN1; SMN2HTTATM
SCHEMBL6768175 0.74 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2CYP1A2HTT
SCHEMBL6306457 0.74 KDM4E (0.35) KDM4EALDH1A1SMN1; SMN2HTTATM
SCHEMBL6315032 0.74 KDM4E (0.35) KDM4EALDH1A1SMN1; SMN2HTTATM
SCHEMBL6767065 0.74 KDM4E (0.32) KDM4EALDH1A1HTTATMHPGD
SCHEMBL1151712 0.73 ALOX15 (0.42) KDM4EALOX15ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL6305295 0.72 KDM4E (0.34) KDM4EALOX15ALDH1A1SMN1; SMN2CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050159476-A1 Pharmaceutical composition for preventing or treating respiratory disease CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-07-21 US disclosed
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 (2 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-20050159476-A1 Pharmaceutical composition for preventing or treating respiratory disease CFTR, CMA1, SLC5A1 KDM4E 4543/4885ALOX15 318/4885ALDH1A1 584/4885
US-20020156296-A1 2,3-dihydrobenzofuran derivatives CBR1, CYP2F1, NDUFAF2 KDM4E 4048/4885ALOX15 887/4885ALDH1A1 7/4885

“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.