SCHEMBL646923

SCHEMBL646923

CC(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.61
HPN P05981 1/20 0.61
MAPT P10636 1/20 0.61
SIRT5 Q9NXA8 1/20 0.61
CA2 P00918 4/20 0.52
CA1 P00915 2/20 0.52
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 1/20 0.50
TYR P14679 1/20 0.50
PTGS1 P23219 1/20 0.45
GAA P10253 3/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GALR3 O60755 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL10698130 0.89 ALOX15 (0.63) ALOX15HPNMAPTSIRT5CA2
SCHEMBL10706853 0.89 CYP2C9 (0.53) ALOX15HPNMAPTSIRT5CA2
SCHEMBL9504462 0.88 ALOX15 (0.61) ALOX15HPNMAPTSIRT5CA2
SCHEMBL10503818 0.85 ALOX15 (0.63) ALOX15HPNMAPTSIRT5CA2
SCHEMBL11739235 0.84 ALOX15 (0.57) ALOX15HPNMAPTSIRT5CA2
SCHEMBL9852829 0.82 HPN (0.55) ALOX15HPNMAPTSIRT5CA2
SCHEMBL9769341 0.82 HPN (0.55) ALOX15HPNMAPTSIRT5CA2
SCHEMBL9165330 0.82 HPN (0.55) ALOX15HPNMAPTSIRT5CA2
SCHEMBL9550779 0.82 ALOX15 (0.55) ALOX15HPNMAPTSIRT5CA2
SCHEMBL9168124 0.82 HPN (0.55) ALOX15HPNMAPTSIRT5CA2

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
EP-2070919-B1 SPIROQUINONE COMPOUND AND PHARMACEUTICAL COMPOSITION HYKES LAB LLC (JP) 2012-10-10 EP disclosed
US-8119686-B2 Spiroquinone compound and pharmaceutical composition HYKES LABORATORIES LLC (JP) 2012-02-21 US disclosed
US-20100056613-A1 SPIROQUINONE COMPOUND AND PHARMACEUTICAL COMPOSITION HYKES LABORATORIES LLC (JP) 2010-03-04 US disclosed
EP-2070919-A1 SPIROQUINONE COMPOUND AND PHARMACEUTICAL COMPOSITION Hykes Laboratories LLC (JP) 2009-06-17 EP disclosed
EP-0372542-A2 Hypocholesterolemic and antiatherosclerotic uses of bis (3,5-di-tertiary-butyl-4-hydroxyphenylthio) methane MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-13 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-20100056613-A1 SPIROQUINONE COMPOUND AND PHARMACEUTICAL COMPOSITION NR1H2, NR1H3, APOB ALOX15 2563/4885HPN 3356/4885MAPT 4362/4885

“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.