SCHEMBL8065818

SCHEMBL8065818

N#Cc1ccccc1C(=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPIA P62937 1/20 0.42
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.40
CXCR2 P25025 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HSD11B1 P28845 1/20 0.38
CYP1A2 P05177 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KAT6A Q92794 1/20 0.38

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
SCHEMBL15180831 1.00 POLB (0.44) POLBLMNAKDM4EGAACYP2C19
SCHEMBL6276445 0.89 PPIA (0.45) POLBLMNAKDM4EGAAPPIA
SCHEMBL31000747 0.89 PPIA (0.45) POLBLMNAKDM4EGAAPPIA
SCHEMBL15209960 0.86 CES2 (0.56) POLBLMNAKDM4EGAAPPIA
SCHEMBL180853 0.83 ALDH1A1 (0.56) POLBLMNAKDM4EGAAPPIA
SCHEMBL29365220 0.83 ALDH1A1 (0.56) POLBLMNAKDM4EGAAPPIA
SCHEMBL6913178 0.81 ALDH1A1 (0.54) POLBLMNAKDM4EGAAPPIA
SCHEMBL6914996 0.81 ALDH1A1 (0.54) POLBLMNAKDM4EGAAPPIA
SCHEMBL6913805 0.81 ALDH1A1 (0.54) POLBLMNAKDM4EGAAPPIA
Hydrochloric Acid SCHEMBL8901291 0.81 ALDH1A1 (0.54) POLBLMNAKDM4EGAAPPIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
US-20170296681-A1 COMPOSITIONS AND METHODS FOR IMAGING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-10-19 US disclosed
US-20130209360-A1 Compositions and Methods for Imaging THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-15 US disclosed
WO-2009020580-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-02-12 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 (2 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-20170296681-A1 COMPOSITIONS AND METHODS FOR IMAGING GPX4, PRDX5, PRDX2 POLB 1726/4885LMNA 1748/4885KDM4E 4684/4885
US-20130209360-A1 Compositions and Methods for Imaging GPX4, PRDX5, PRDX2 POLB 1726/4885LMNA 1748/4885KDM4E 4684/4885

“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.