SCHEMBL3316993

SCHEMBL3316993

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
MDM2 Q00987 1/20 0.40
MEN1 O00255 1/20 0.39
EPHX2 P34913 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 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
SCHEMBL13398104 0.87 POLB (0.43) NPC1RAB9AHPGDALDH1A1POLB
SCHEMBL14980937 0.86 POLB (0.42) NPC1RAB9AHPGDALDH1A1POLB
SCHEMBL14980935 0.83 PLK1 (0.44) NPC1RAB9AHPGDALDH1A1POLB
SCHEMBL13398117 0.83 GAA (0.47) NPC1RAB9AALDH1A1POLBKMT2A
SCHEMBL3318810 0.83 ALDH1A1 (0.47) NPC1RAB9AHPGDALDH1A1POLB
SCHEMBL4112246 0.83 NPC1 (0.41) NPC1RAB9AHPGDALDH1A1POLB
SCHEMBL3314282 0.83 ALDH1A1 (0.44) NPC1RAB9AHPGDALDH1A1POLB
SCHEMBL13397812 0.83 ALDH1A1 (0.44) NPC1RAB9AHPGDALDH1A1POLB
SCHEMBL17296893 0.81 ATM (0.53) NPC1RAB9AALDH1A1POLBKMT2A
SCHEMBL13398073 0.80 NPC1 (0.39) NPC1RAB9AHPGDALDH1A1POLB

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 NPC1 3402/4885RAB9A 1939/4885HPGD 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.