SCHEMBL13890656

SCHEMBL13890656

CC1=C(C(C)C)C(=O)C(O)=C(O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.42
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
BLM P54132 1/20 0.38
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
APAF1 O14727 1/20 0.33
TDP2 O95551 1/20 0.33
HPGD P15428 1/20 0.30
RECQL P46063 1/20 0.30
MAOB P27338 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
SCHEMBL9175310 0.83 DUSP3 (0.52) DUSP3KDM4EALDH1A1TDP1MEN1
SCHEMBL12957817 0.76 MAOA (0.32) MAOB
SCHEMBL5590100 0.75 CDC25A (0.32)
SCHEMBL10609498 0.74 DUSP3 (0.58) DUSP3KDM4EALDH1A1TDP1MEN1
SCHEMBL22644817 0.74 KDM4E (0.35) KDM4EALDH1A1TDP1MEN1MAPT
SCHEMBL13519618 0.70
SCHEMBL16309126 0.69 DUSP3 (0.68) DUSP3KDM4EALDH1A1TDP1MEN1
SCHEMBL27098390 0.68 DUSP3 (0.77) DUSP3KDM4EALDH1A1TDP1MEN1
SCHEMBL3413343 0.67 CDC25A (0.37)
SCHEMBL22874151 0.67 CDC25B (0.54) KDM4EALDH1A1TDP1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090087420-A1 STABLE SOLUTION OF REDUCED COENZYME Q KANEKA CORPORATION (JP) 2009-04-02 US 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-20090087420-A1 STABLE SOLUTION OF REDUCED COENZYME Q COQ8A, COQ8B, LRAT DUSP3 3907/4885KDM4E 1434/4885ALDH1A1 3882/4885

“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.