SCHEMBL3318474

SCHEMBL3318474

COc1ccc(C(=O)C2(O)CCCCC2C(=O)NCCC[Si](C)(C)O[Si](C)(C)CCC(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 2/20 0.41
FPR2 P25090 2/20 0.41
DPP4 P27487 1/20 0.38
POLB P06746 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MDM2 Q00987 1/20 0.35
KMT2A Q03164 2/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IKBKE Q14164 3/20 0.34
AURKB Q96GD4 3/20 0.34
TBK1 Q9UHD2 3/20 0.34
TP53 P04637 1/20 0.33
CDK2 P24941 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL13398073 0.94 NPC1 (0.39) DPP4POLBSMN1; SMN2NPC1RAB9A
SCHEMBL3318478 0.92 POLB (0.38) FPR3FPR2DPP4POLBSMN1; SMN2
SCHEMBL3317005 0.84 ADCY1 (0.38) DPP4POLBSMN1; SMN2NPC1RAB9A
SCHEMBL3317029 0.84 SMN1; SMN2 (0.38) DPP4POLBSMN1; SMN2NPC1RAB9A
SCHEMBL3318810 0.82 ALDH1A1 (0.47) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4112246 0.81 NPC1 (0.41) FPR3FPR2DPP4POLBSMN1; SMN2
SCHEMBL3314282 0.81 ALDH1A1 (0.44) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13871223 0.81 SMN1; SMN2 (0.41) DPP4POLBSMN1; SMN2NPC1RAB9A
SCHEMBL3312931 0.80 SMN1; SMN2 (0.40) DPP4POLBSMN1; SMN2NPC1RAB9A
SCHEMBL3317000 0.80 ALDH1A1 (0.37) FPR3FPR2POLBSMN1; SMN2NPC1

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 2 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-20100104979-A1 ALPHA-HYDROXYKETONES IGM GROUP B.V. (NL) 2010-04-29 US 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 FPR3 422/4885FPR2 1377/4885DPP4 3908/4885

“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.