SCHEMBL12936166

SCHEMBL12936166

CCNC(=O)COP(=O)(O)OC[N+](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
TPI1 P60174 1/20 0.35
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.32
MCL1 Q07820 1/20 0.32
ALDH1A1 P00352 1/20 0.31
FAAH O00519 1/20 0.31
KDM4E B2RXH2 2/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL9971733 0.85 TPI1 (0.34) TPI1
SCHEMBL11966757 0.81 SMN1; SMN2 (0.39) HPGDRAB9ASMN1; SMN2NPC1TPI1
SCHEMBL9971737 0.80 TPI1 (0.31) TPI1
SCHEMBL11966756 0.78
SCHEMBL26556407 0.78 BBOX1 (0.37) TSHR
SCHEMBL11966759 0.77 TSHR (0.31) SMN1; SMN2TSHRLMNA
SCHEMBL100397 0.77 MVD (0.38) HPGDSMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL100398 0.74 TSHR (0.40) TSHR
SCHEMBL12936165 0.74 SAT1 (0.35)
SCHEMBL11966760 0.72

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021756-A1 METHOD OF MANUFACTURING AN AFFINITY PARTICLE, AFFINITY PARTICLE, AND SEPARATION METHOD SHISEIDO COMPANY, LTD. (JP) 2011-01-27 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-20110021756-A1 METHOD OF MANUFACTURING AN AFFINITY PARTICLE, AFFINITY PARTICLE, AND SEPARATION METHOD FCGR1A, FCGR3B, FCGR2A HPGD 4013/4885MMP1 3588/4885MMP2 2731/4885

“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.