SCHEMBL19782689

SCHEMBL19782689

NCCOc1cc(C=O)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
TRIM24 O15164 1/20 0.57
HPGD P15428 1/20 0.57
ALDH5A1 P51649 1/20 0.57
ABAT P80404 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
TRIM33 Q9UPN9 1/20 0.57
CXCL12 P48061 4/20 0.55
FDPS P14324 1/20 0.50
KDM4E B2RXH2 2/20 0.48
RAB9A P51151 2/20 0.48
PTGS2 P35354 1/20 0.48
AOX1 Q06278 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TOP2A P11388 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 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
SCHEMBL359491 0.85 ALDH1A1 (0.68) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL972755 0.83 ALDH1A1 (0.76) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL9072185 0.83 ALDH1A1 (0.66) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL1515911 0.82 ALDH1A1 (0.69) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL2890759 0.82 ALDH1A1 (0.73) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL27430789 0.81 FDPS (0.51) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL17782945 0.81 ALDH1A1 (0.72) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL1098158 0.81 ALDH1A1 (0.67) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL14323012 0.81 ALDH1A1 (0.71) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL1515863 0.80 ALDH1A1 (0.65) ALDH1A1TRIM24HPGDALDH5A1ABAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046657-B2 Pyrimidinone derivatives and uses thereof to neutralize the biological activity of chemokines CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-06-29 US disclosed
US-20200181093-A1 Pyrimidinone Derivatives and Uses Thereof to Neutralize the Biological Activity of Chemokines CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS (FR) 2020-06-11 US disclosed
WO-2018011376-A1 PYRIMIDINONE DERIVATIVES AND USES THEREOF TO NEUTRALIZE THE BIOLOGICAL ACTIVITY OF CHEMOKINES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS - (FR) 2018-01-18 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-20200181093-A1 Pyrimidinone Derivatives and Uses Thereof to Neutralize the Biological Activity of Chemokines CCL5, CXCR3, CXCL10 ALDH1A1 1436/4885TRIM24 2777/4885HPGD 423/4885
US-11046657-B2 Pyrimidinone derivatives and uses thereof to neutralize the biological activity of chemokines CCL5, CXCR3, CXCL10 ALDH1A1 1436/4885TRIM24 2777/4885HPGD 423/4885

“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.