SCHEMBL3320774

SCHEMBL3320774

COc1ccc(C(=O)C2(O)CCCCC2C(=O)N2CCNCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 2/20 0.41
SLC6A2 P23975 1/20 0.40
POLB P06746 2/20 0.40
CNR2 P34972 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
GAA P10253 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL3315409 0.92 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDPOLBCNR2
SCHEMBL17296896 0.90 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL14980951 0.88 HPGD (0.49) ALDH1A1SMN1; SMN2HPGDPOLBCNR2
SCHEMBL13417396 0.85 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2HPGDCNR2GAA
SCHEMBL3317429 0.84 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDPOLBGAA
SCHEMBL3315274 0.80 MAPK1 (0.45) ALDH1A1CNR2GAAEPHX2
SCHEMBL17296893 0.78 ATM (0.53) ALDH1A1SMN1; SMN2POLBEPHX2
SCHEMBL14980948 0.78 NPC1 (0.46) ALDH1A1POLBCNR2EPHX2
SCHEMBL14980935 0.76 PLK1 (0.44) ALDH1A1HPGDPOLBEPHX2
SCHEMBL13398104 0.76 POLB (0.43) ALDH1A1SMN1; SMN2HPGDPOLBEPHX2

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 ALDH1A1 734/4885SMN1; SMN2 4802/4885HPGD 783/4885

“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.