SCHEMBL10149033

SCHEMBL10149033

CC(=O)Oc1cc(CCc2ccccc2)cc(OC(C)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
BACE1 P56817 2/20 0.53
PTGS2 P35354 1/20 0.51
ALDH1A1 P00352 4/20 0.50
GAA P10253 2/20 0.50
ELANE P08246 1/20 0.50
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
KMT2A Q03164 2/20 0.47
MAPT P10636 3/20 0.47
HSP90AA1 P07900 1/20 0.47
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 2/20 0.46
CYP3A4 P08684 2/20 0.46
MEN1 O00255 1/20 0.46
TTR P02766 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL717746 0.90 GABRA1 (0.54) SMN1; SMN2NPC1RAB9ABACE1PTGS2
SCHEMBL715536 0.89 CYP3A4 (0.56) SMN1; SMN2NPC1RAB9ABACE1PTGS2
SCHEMBL10183039 0.88 CYP4F2 (0.58) SMN1; SMN2BACE1ALDH1A1GAAELANE
SCHEMBL718523 0.87 MAPT (0.56) SMN1; SMN2NPC1RAB9APTGS2ALDH1A1
SCHEMBL717987 0.87 NPC1 (0.65) SMN1; SMN2NPC1RAB9ABACE1PTGS2
SCHEMBL10148975 0.84 LMNA (0.60) SMN1; SMN2CYP4F2CYP4A11KMT2AMAPT
SCHEMBL2011849 0.82 MEN1 (0.65) SMN1; SMN2NPC1RAB9ABACE1PTGS2
Acetic Acid Phenyl Ester SCHEMBL8080259 0.82 ELANE (0.64) SMN1; SMN2BACE1ALDH1A1GAAELANE
SCHEMBL718522 0.81 KMT2A (0.49) SMN1; SMN2NPC1RAB9ABACE1ALDH1A1
SCHEMBL1379954 0.81 CYP4F2 (0.56) SMN1; SMN2BACE1PTGS2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2020-06-18 US disclosed
US-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-10-06 US disclosed
US-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-10-06 US disclosed
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 US disclosed
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 US disclosed
WO-2010085851-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-08-05 WO 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 (3 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-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 SMN1; SMN2 3871/4885NPC1 3562/4885RAB9A 3419/4885
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 SMN1; SMN2 3871/4885NPC1 3562/4885RAB9A 3419/4885
US-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 SMN1; SMN2 3871/4885NPC1 3562/4885RAB9A 3419/4885

“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.