SCHEMBL822222

SCHEMBL822222

O=C(OCCCCCCO)C(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 5/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
NAAA Q02083 2/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM4 P08173 1/20 0.41

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
SCHEMBL822133 0.98 LMNA (0.47) NPC1RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL821833 0.93 LMNA (0.48) NPC1RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL28408919 0.87 LMNA (0.43) NPC1RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL821932 0.86 LMNA (0.52) SMN1; SMN2LMNAMAPK1CES2CES1
SCHEMBL26611026 0.86 LMNA (0.52) SMN1; SMN2LMNAMAPK1CES2CES1
SCHEMBL9093917 0.85 NPC1 (0.62) NPC1RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL2050163 0.85 NPC1 (0.62) NPC1RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL9093913 0.85 NPC1 (0.62) NPC1RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL19215891 0.85 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL2050162 0.85 NPC1 (0.62) NPC1RAB9ASMN1; SMN2LMNAMAPK1

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-20110287102-A1 CHAIN EXTENDERS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2011-11-24 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-20110287102-A1 CHAIN EXTENDERS UMPS, PUF60, SMCHD1 NPC1 3411/4885RAB9A 4626/4885SMN1; SMN2 421/4885

“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.