SCHEMBL13779182

SCHEMBL13779182

C=C(C)C(=O)OC1C(=O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.37
ATM Q13315 2/20 0.37
ELANE P08246 1/20 0.33
TSHR P16473 1/20 0.32
GPX4 P36969 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
THRB P10828 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
SCHEMBL18510216 0.78 POLB (0.40) KMT2ATSHRPOLB
SCHEMBL8959105 0.78 POLB (0.40) KMT2ATSHRPOLB
SCHEMBL28380224 0.76 ALDH1A1 (0.35) ALDH1A1ATMGPX4KDM4ENPC1
SCHEMBL172075 0.73 KDM4E (0.43) ALDH1A1KMT2AATMKDM4EPOLB
SCHEMBL6467731 0.72
SCHEMBL5237434 0.72 ALDH1A1 (0.37) ALDH1A1KMT2AATMTSHRGPX4
SCHEMBL5489568 0.72 KDM4E (0.49) ALDH1A1KMT2AKDM4EPOLBMAPT
SCHEMBL12123957 0.71 ALDH1A1 (0.34) ALDH1A1ATMGPX4KDM4ENPC1
SCHEMBL9610481 0.71 ACP3 (0.42) POLBHTT
SCHEMBL17247980 0.70 ALDH1A1 (0.31) ALDH1A1KMT2AATMGPX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176866-A1 Complexes having adjuvant activity POLYTHERICS LIMITED (GB) 2009-07-09 US disclosed
US-20090176866-A1 Complexes having adjuvant activity POLYTHERICS LIMITED (GB) 2009-07-09 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-20090176866-A1 Complexes having adjuvant activity MYD88, TLR3, TLR9 ALDH1A1 2687/4885KMT2A 2389/4885ATM 483/4885

“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.