SCHEMBL648883

SCHEMBL648883

CC(CCC(=O)O)(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 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 13/20 0.59
▸ HPN P05981 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ SIRT5 Q9NXA8 1/20 0.56
▸ GPR55 Q9Y2T6 1/20 0.43
▸ GLRA3 O75311 1/20 0.42
▸ GLRB P48167 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ GABBR2 O75899 1/20 0.42
▸ GABBR1 Q9UBS5 1/20 0.42
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL648287 0.80 ALOX15 (0.63) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL21241676 0.79 VCAM1 (0.64) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL8309788 0.78 VCAM1 (0.55) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL646329 0.78 HPN (0.59) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL647467 0.76 ALOX15 (0.68) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL645860 0.76 ALOX15 (0.68) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL14037559 0.76 VCAM1 (0.70) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL11654078 0.76 TSHR (0.66) VCAM1MAPTGPR55GLRA3GLRB
SCHEMBL10685643 0.75 HPN (0.66) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL7699048 0.75 VCAM1 (0.56) VCAM1HPNMAPTALOX15SIRT5

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 VCAM1 1760/4885HPN 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.

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