SCHEMBL3318121

SCHEMBL3318121

CCO[Si](O)(O)CCCN.O=C(O)C1CCCCC1(O)C(=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 1/20 0.33
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 3/20 0.31
LMNA P02545 2/20 0.31
KMT2A Q03164 2/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL3318683 0.80 POLB (0.39) CNR2ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3314911 0.79 CNR2 (0.41) CNR2ALDH1A1LMNAKMT2A
SCHEMBL3314415 0.75 ALDH1A1 (0.40) OPRM1ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL13397997 0.73 SCN1A (0.35) OPRM1OPRD1OPRK1CNR2LMNA
SCHEMBL3318675 0.71 NPC1 (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL13871145 0.71 CNR2 (0.39) OPRM1OPRD1OPRK1CNR2ALDH1A1
SCHEMBL14980957 0.71 CNR2 (0.39) OPRM1OPRD1OPRK1CNR2ALDH1A1
SCHEMBL3314780 0.71 FKBP1A (0.42) ALDH1A1LMNAKMT2AMEN1CYP2D6
SCHEMBL31253337 0.71 CNR2 (0.44) CNR2ALDH1A1LMNAKMT2A
SCHEMBL3315274 0.71 MAPK1 (0.45) CNR2ALDH1A1

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 OPRM1 596/4885OPRD1 262/4885OPRK1 141/4885

“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.