SCHEMBL3317005

SCHEMBL3317005

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADCY1 Q08828 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MDM2 Q00987 1/20 0.38
POLB P06746 2/20 0.37
HPGD P15428 2/20 0.36
CTSK P43235 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 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 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL3317029 0.92 SMN1; SMN2 (0.38) ADCY1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13398073 0.90 NPC1 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1MDM2
SCHEMBL3318478 0.87 POLB (0.38) SMN1; SMN2NPC1RAB9AALDH1A1MDM2
SCHEMBL3318810 0.86 ALDH1A1 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1MDM2
SCHEMBL3314282 0.85 ALDH1A1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1MDM2
SCHEMBL4112246 0.85 NPC1 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1MDM2
SCHEMBL13871223 0.85 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1MDM2
SCHEMBL3318474 0.84 FPR3 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1MDM2
SCHEMBL3312931 0.84 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1MDM2
SCHEMBL3317000 0.83 ALDH1A1 (0.37) ADCY1SMN1; SMN2NPC1RAB9AALDH1A1

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
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

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 ADCY1 769/4885SMN1; SMN2 4802/4885NPC1 3402/4885

“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.