SCHEMBL822133

SCHEMBL822133

O=C(OCCCCO)C(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
CHRM2 P08172 4/20 0.42
CHRM1 P11229 4/20 0.42
CHRM3 P20309 4/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM4 P08173 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL822222 0.98 NPC1 (0.46) LMNAMAPK1TDP1NPC1RAB9A
SCHEMBL821833 0.95 LMNA (0.48) LMNAMAPK1TDP1NPC1RAB9A
SCHEMBL28408919 0.89 LMNA (0.43) LMNAMAPK1TDP1NPC1RAB9A
SCHEMBL821932 0.87 LMNA (0.52) LMNAMAPK1SMN1; SMN2CES2CES1
SCHEMBL26611026 0.87 LMNA (0.52) LMNAMAPK1SMN1; SMN2CES2CES1
SCHEMBL1547678 0.85 NPC1 (0.61) LMNAMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL1547680 0.85 NPC1 (0.61) LMNAMAPK1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7274667 0.83 NPC1 (0.59) LMNAMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL9093917 0.83 NPC1 (0.62) LMNAMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL2050163 0.83 NPC1 (0.62) LMNAMAPK1NPC1RAB9ASMN1; SMN2

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 LMNA 570/4885MAPK1 1917/4885TDP1 2133/4885

“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.