SCHEMBL3320876

SCHEMBL3320876

NC(=O)COCCOCCNC(=O)C1CCCCC1(O)C(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
EPHX2 P34913 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 3/20 0.38
CHRM2 P08172 1/20 0.37
ACHE P22303 2/20 0.36
OPRM1 P35372 2/20 0.33
NCEH1 Q6PIU2 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.32
HTT P42858 1/20 0.32
TACR2 P21452 1/20 0.32
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32

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
SCHEMBL3320884 0.90 SMN1; SMN2 (0.42) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL3318138 0.89 FPR3 (0.39) SMN1; SMN2NPC1RAB9AKMT2ACHRM2
SCHEMBL3314780 0.80 FKBP1A (0.42) SMN1; SMN2KMT2ALMNAMEN1HTT
SCHEMBL3318150 0.79 HRH3 (0.40) SMN1; SMN2NPC1EPHX2RAB9AKMT2A
SCHEMBL14980957 0.74 CNR2 (0.39) KMT2AOPRM1OPRD1OPRK1LMNA
SCHEMBL14980950 0.73 ALDH1A1 (0.39) SMN1; SMN2NPC1EPHX2RAB9AKMT2A
SCHEMBL3316980 0.72 CHRM2 (0.37) SMN1; SMN2KMT2ACHRM2LMNAMEN1
SCHEMBL3317776 0.72 CHRM2 (0.37) SMN1; SMN2KMT2ACHRM2LMNAMEN1
SCHEMBL3318444 0.72 ATM (0.37) KMT2ACHRM2LMNAMEN1HTT
SCHEMBL3318441 0.72 ATM (0.37) KMT2ACHRM2LMNAMEN1HTT

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 SMN1; SMN2 4802/4885NPC1 3402/4885PKM 2158/4885

“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.