SCHEMBL646501

SCHEMBL646501

CC(C)c1cc(SC(C)(C)Sc2cc(C(C)C)c(O)c(C(C)C)c2)cc(C(C)C)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.55
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
SIRT5 Q9NXA8 1/20 0.55
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
GABRA1 P14867 6/20 0.48
GABRB1 P18505 5/20 0.48
GABRB2 P47870 3/20 0.48
GAA P10253 2/20 0.44
FAAH O00519 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GABRG2 P18507 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 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
SCHEMBL202336 0.88 CA1 (0.52) HPNMAPTALOX15SIRT5CA1
SCHEMBL8353394 0.87 ALOX15 (0.72) HPNMAPTALOX15SIRT5CA1
SCHEMBL201826 0.80 CA1 (0.48) HPNMAPTALOX15SIRT5CA1
SCHEMBL10997298 0.78 CA1 (0.61) MAPTALOX15CA1CA2GABRA1
SCHEMBL9701896 0.78 CA1 (0.61) MAPTALOX15CA1CA2GABRA1
SCHEMBL3132119 0.75 HPN (0.50) HPNMAPTALOX15SIRT5CA1
SCHEMBL299993 0.71 CA1 (0.58) ALOX15CA1CA2GABRA1GABRB1
SCHEMBL199772 0.71 CA1 (0.58) CA1CA2GABRA1GABRB1GABRB2
Probucol SCHEMBL5143451 0.71 HPN (1.00) HPNMAPTALOX15SIRT5CA1
SCHEMBL13522249 0.71 MAPT (0.61) HPNMAPTALOX15SIRT5CA1

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
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

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 HPN 3356/4885MAPT 4362/4885ALOX15 2563/4885

“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.