SCHEMBL13397997

SCHEMBL13397997

NCCOC(=O)C1CCCCC1(O)C(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
ATM Q13315 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
IDO1 P14902 1/20 0.34
CNR2 P34972 3/20 0.34
CNR1 P21554 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
LMNA P02545 1/20 0.33
SIGMAR1 Q99720 3/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
POLB P06746 1/20 0.33
ELANE P08246 1/20 0.33
PRCP P42785 1/20 0.32

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
SCHEMBL3318441 0.92 ATM (0.37) SCN1ASCN2ASCN3AATMMEN1
SCHEMBL3318444 0.92 ATM (0.37) SCN1ASCN2ASCN3AATMMEN1
SCHEMBL3314570 0.90 TDP1 (0.42) SCN1ASCN2ASCN3AATMMEN1
SCHEMBL3314576 0.90 TDP1 (0.42) SCN1ASCN2ASCN3AATMMEN1
SCHEMBL3314533 0.89 TDP1 (0.41) SCN1ASCN2ASCN3AATMMEN1
SCHEMBL3314537 0.89 TDP1 (0.41) SCN1ASCN2ASCN3AATMMEN1
SCHEMBL3315899 0.87 SIGMAR1 (0.44) SCN1ASCN2ASCN3AOPRM1LMNA
SCHEMBL3314379 0.86 TDP1 (0.38) SCN1ASCN2ASCN3AATMMEN1
SCHEMBL3314415 0.85 ALDH1A1 (0.40) MEN1KMT2AOPRM1
SCHEMBL3317052 0.85 PPARG (0.44) SCN1ASCN2ASCN3AKMT2ACNR2

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 2 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-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 SCN1A 1778/4885SCN2A 2651/4885SCN3A 1504/4885

“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.