SCHEMBL3084331

SCHEMBL3084331

CCCCCCCCON1C(=O)c2ccccc2C1=O

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
GAA P10253 1/20 0.61
RECQL P46063 1/20 0.59
ALDH1A1 P00352 2/20 0.53
NR1H2 P55055 1/20 0.49
NR1H3 Q13133 1/20 0.49
CYP1A2 P05177 1/20 0.48
ASAH1 Q13510 1/20 0.48
CES1 P23141 2/20 0.46
CDC25A P30304 1/20 0.46

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
SCHEMBL15377348 1.00 TDP1 (0.67) TDP1GAARECQLALDH1A1NR1H2
SCHEMBL15027451 1.00 TDP1 (0.67) TDP1GAARECQLALDH1A1NR1H2
SCHEMBL26346465 1.00 TDP1 (0.67) TDP1GAARECQLALDH1A1NR1H2
SCHEMBL9282228 1.00 TDP1 (0.67) TDP1GAARECQLALDH1A1NR1H2
SCHEMBL31578910 1.00 TDP1 (0.67) TDP1GAARECQLALDH1A1NR1H2
SCHEMBL30538659 1.00 TDP1 (0.67) TDP1GAARECQLALDH1A1NR1H2
SCHEMBL4308548 1.00 TDP1 (0.67) TDP1GAARECQLALDH1A1NR1H2
SCHEMBL1537376 0.98 TDP1 (0.69) TDP1GAARECQLALDH1A1NR1H2
SCHEMBL14560518 0.93 TDP1 (0.76) TDP1GAARECQLALDH1A1NR1H2
SCHEMBL12290556 0.92 TDP1 (0.66) TDP1GAARECQLALDH1A1NR1H2

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-2788385-A1 ORGANIC COMPOUNDS Resene Paints Limited (NZ) 2014-10-15 EP disclosed
WO-2013085397-A1 ORGANIC COMPOUNDS RESENE PAINTS LIMITED (NZ) 2013-06-13 WO disclosed
US-20100226875-A1 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES FIRMENICH SA (CH) 2010-09-09 US disclosed
EP-2010293-A2 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES Firmenich S.A. (CH) 2009-01-07 EP disclosed
WO-2007085991-A2 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES FIRMENICH SA (CH) 2007-08-02 WO 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-20100226875-A1 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES HPD, TRHDE, BPHL TDP1 912/4885GAA 3816/4885RECQL 1946/4885

“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.