SCHEMBL718522

SCHEMBL718522

CC(=O)Oc1cc(CCCC(=O)Oc2ccccc2)cc(OC(C)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
LMNA P02545 2/20 0.44
ELANE P08246 1/20 0.44
HPGD P15428 1/20 0.44
BACE1 P56817 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSP90AA1 P07900 1/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
CYP3A4 P08684 2/20 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
SCHEMBL112611 0.81 HDAC1 (0.60) KMT2APRSS1PRSS2PRSS3HPGD
SCHEMBL10149033 0.81 SMN1; SMN2 (0.55) KMT2ALMNAELANEBACE1SMN1; SMN2
SCHEMBL29113880 0.80 HDAC1 (0.58) KMT2APRSS1PRSS2PRSS3HPGD
Acetic Acid Phenyl Ester SCHEMBL8080259 0.79 ELANE (0.64) KMT2ALMNAELANEBACE1SMN1; SMN2
SCHEMBL10183039 0.78 CYP4F2 (0.58) KMT2ALMNAELANEBACE1SMN1; SMN2
SCHEMBL9078593 0.77 PRSS1 (0.60) KMT2APRSS1PRSS2PRSS3HPGD
SCHEMBL27862045 0.77 CYP1A2 (0.69) KMT2APRSS1PRSS2PRSS3HPGD
SCHEMBL718523 0.76 MAPT (0.56) KMT2ALMNAELANESMN1; SMN2NPC1
Formic Acid SCHEMBL11016169 0.76 HPGD (0.56) KMT2APRSS1PRSS2PRSS3HPGD
SCHEMBL27587646 0.76 TRPV1 (0.54) KMT2APRSS1PRSS2PRSS3HPGD

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 5 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-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 US disclosed
EP-2391658-A1 MOLECULARLY IMPRINTED POLYMERS Commonwealth Scientific and Industrial Research Organisation (AU) 2011-12-07 EP 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 KMT2A 964/4885PRSS1 1920/4885PRSS2 2213/4885
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 KMT2A 964/4885PRSS1 1920/4885PRSS2 2213/4885
US-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 KMT2A 964/4885PRSS1 1920/4885PRSS2 2213/4885

“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.