SCHEMBL3318683

SCHEMBL3318683

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
CNR2 P34972 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CTSK P43235 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MDM2 Q00987 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CPB2 Q96IY4 1/20 0.35
EPHX2 P34913 1/20 0.35
GAA P10253 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
SCHEMBL3315274 0.87 MAPK1 (0.45) CNR2NPC1RAB9ACASP3SENP8
SCHEMBL3318675 0.81 NPC1 (0.38) POLBNPC1RAB9ACASP3SENP8
SCHEMBL3318569 0.80 SMN1; SMN2 (0.40) POLBCNR2NPC1RAB9ASMN1; SMN2
SCHEMBL3318121 0.80 OPRM1 (0.33) CNR2SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3318478 0.79 POLB (0.38) POLBNPC1RAB9ACTSKSMN1; SMN2
SCHEMBL14980948 0.78 NPC1 (0.46) POLBCNR2NPC1RAB9ACASP3
SCHEMBL17296893 0.76 ATM (0.53) POLBNPC1RAB9ACASP3SENP8
SCHEMBL13398104 0.76 POLB (0.43) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3317270 0.76 CYP3A4 (0.45) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL13397953 0.75 FKBP1A (0.40) NPC1RAB9ACASP3SENP8SENP7

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 3 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

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 POLB 2943/4885CNR2 773/4885NPC1 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.