SCHEMBL3312931

SCHEMBL3312931

CCO[Si](O)(CCCNC(=O)C1CCCCC1(O)C(=O)c1ccc(OC)cc1)OCC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MDM2 Q00987 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
DPP4 P27487 1/20 0.35
EPHX2 P34913 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL13871223 0.91 SMN1; SMN2 (0.41) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL3318810 0.87 ALDH1A1 (0.47) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL3314282 0.86 ALDH1A1 (0.44) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL13398073 0.85 NPC1 (0.39) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL4112246 0.84 NPC1 (0.41) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL3317029 0.84 SMN1; SMN2 (0.38) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL3317005 0.84 ADCY1 (0.38) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL13398104 0.83 POLB (0.43) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL3318478 0.82 POLB (0.38) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL3318474 0.80 FPR3 (0.41) SMN1; SMN2HPGDALDH1A1NPC1RAB9A

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

“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.