SCHEMBL3316980

SCHEMBL3316980

O=C(OCCOCCO)C1CCCCC1(O)C(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.37
CHRM1 P11229 3/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HTT P42858 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
SLC22A1 O15245 1/20 0.37
THRB P10828 1/20 0.37
PRCP P42785 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
ATM Q13315 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR2 P34972 3/20 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
SCHEMBL3317776 1.00 CHRM2 (0.37) CHRM2CHRM1LMNAKDM4EALDH1A1
SCHEMBL3318444 0.92 ATM (0.37) CHRM2CHRM1LMNAKDM4EALDH1A1
SCHEMBL3318441 0.92 ATM (0.37) CHRM2CHRM1LMNAKDM4EALDH1A1
SCHEMBL3315534 0.88 CHRM2 (0.42) CHRM2CHRM1LMNAALDH1A1TDP1
SCHEMBL3320618 0.88 CHRM2 (0.42) CHRM2CHRM1LMNAALDH1A1TDP1
SCHEMBL3314379 0.87 TDP1 (0.38) ALDH1A1TDP1SIGMAR1ATMMEN1
SCHEMBL3314576 0.87 TDP1 (0.42) ALDH1A1TDP1SIGMAR1ATMMEN1
SCHEMBL3314570 0.87 TDP1 (0.42) ALDH1A1TDP1SIGMAR1ATMMEN1
SCHEMBL3314579 0.86 TDP1 (0.38) ALDH1A1TDP1SIGMAR1ATMMEN1
SCHEMBL3314533 0.86 TDP1 (0.41) ALDH1A1TDP1SIGMAR1ATMMEN1

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
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
EP-2129659-A1 ALPHA-HYDROXYKETONES BASF SE (DE) 2009-12-09 EP 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 CHRM2 592/4885CHRM1 205/4885LMNA 951/4885

“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.