SCHEMBL3318441

SCHEMBL3318441

O=C(OCCOC(=O)C1CCCCC1(O)C(=O)c1ccccc1)C1CCCCC1(O)C(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CNR2 P34972 3/20 0.36
CNR1 P21554 1/20 0.36
LMNA P02545 2/20 0.36
FKBP1A P62942 3/20 0.35
POLB P06746 1/20 0.35
ELANE P08246 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
SIGMAR1 Q99720 3/20 0.35
PRCP P42785 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SLC22A1 O15245 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL3318444 1.00 ATM (0.37) ATMMEN1KMT2ACNR2CNR1
SCHEMBL3314570 0.95 TDP1 (0.42) ATMMEN1KMT2ACNR2CNR1
SCHEMBL3314576 0.95 TDP1 (0.42) ATMMEN1KMT2ACNR2CNR1
SCHEMBL3314537 0.94 TDP1 (0.41) ATMMEN1KMT2AFKBP1ASCN1A
SCHEMBL3314533 0.94 TDP1 (0.41) ATMMEN1KMT2AFKBP1ASCN1A
SCHEMBL13397997 0.92 SCN1A (0.35) ATMMEN1KMT2ACNR2CNR1
SCHEMBL3316980 0.92 CHRM2 (0.37) ATMMEN1KMT2ACNR2CNR1
SCHEMBL3317776 0.92 CHRM2 (0.37) ATMMEN1KMT2ACNR2CNR1
SCHEMBL3315899 0.91 SIGMAR1 (0.44) LMNAPOLBSCN1ASCN2ASCN3A
SCHEMBL3314379 0.90 TDP1 (0.38) ATMMEN1KMT2ACNR2FKBP1A

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 7 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
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
WO-2008122504-A1 ALPHA-HYDROXYKETONES BASF SE (CH) 2008-10-16 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-20100104979-A1 ALPHA-HYDROXYKETONES C9, C1R, CBR3 ATM 3090/4885MEN1 2626/4885KMT2A 2928/4885

“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.