SCHEMBL3314533

SCHEMBL3314533

O=C(OCCCCCCOC(=O)C1CCCCC1(O)C(=O)c1ccccc1)C1CCCCC1(O)C(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
SIGMAR1 Q99720 5/20 0.40
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
FKBP1A P62942 4/20 0.38
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PPARG P37231 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL3314537 1.00 TDP1 (0.41) TDP1SIGMAR1SCN1ASCN2ASCN3A
SCHEMBL3314570 0.99 TDP1 (0.42) TDP1SIGMAR1SCN1ASCN2ASCN3A
SCHEMBL3314576 0.99 TDP1 (0.42) TDP1SIGMAR1SCN1ASCN2ASCN3A
SCHEMBL3314579 0.95 TDP1 (0.38) TDP1SIGMAR1SCN1ASCN2ASCN3A
SCHEMBL3314379 0.94 TDP1 (0.38) TDP1SIGMAR1SCN1ASCN2ASCN3A
SCHEMBL3318441 0.94 ATM (0.37) TDP1SIGMAR1SCN1ASCN2ASCN3A
SCHEMBL3318444 0.94 ATM (0.37) TDP1SIGMAR1SCN1ASCN2ASCN3A
SCHEMBL13397997 0.89 SCN1A (0.35) SIGMAR1SCN1ASCN2ASCN3AMEN1
SCHEMBL3315899 0.88 SIGMAR1 (0.44) TDP1SIGMAR1SCN1ASCN2ASCN3A
SCHEMBL3318083 0.88 FKBP1A (0.37) TDP1FKBP1AMEN1KMT2A

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
US-9199934-B2 Alpha-hydroxyketones BASF SE (DE) 2015-12-01 US disclosed
US-9199934-B2 Alpha-hydroxyketones BASF SE (DE) 2015-12-01 US disclosed
EP-2129659-B1 ALPHA-HYDROXYKETONES BASF SE (DE) 2013-05-29 EP disclosed
US-20100104979-A1 ALPHA-HYDROXYKETONES IGM GROUP B.V. (NL) 2010-04-29 US disclosed
US-20100104979-A1 ALPHA-HYDROXYKETONES IGM GROUP B.V. (NL) 2010-04-29 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-20100104979-A1 ALPHA-HYDROXYKETONES C9, C1R, CBR3 TDP1 4511/4885SIGMAR1 108/4885SCN1A 1778/4885

“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.