SCHEMBL21999372

SCHEMBL21999372

CCCCCCCCCCCCC(=O)Nc1ccc(CC(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.66
DGAT2 Q96PD7 1/20 0.66
HPGD P15428 1/20 0.62
SOAT2 O75908 1/20 0.59
SOAT1 P35610 1/20 0.59
PSMB11 A5LHX3 1/20 0.58
PSMA7 O14818 1/20 0.58
PSMB1 P20618 1/20 0.58
PSMA1 P25786 1/20 0.58
PSMA2 P25787 1/20 0.58
PSMA3 P25788 1/20 0.58
PSMA4 P25789 1/20 0.58
PSMB8 P28062 1/20 0.58
PSMB9 P28065 1/20 0.58
PSMA5 P28066 1/20 0.58
PSMB4 P28070 1/20 0.58
PSMB6 P28072 1/20 0.58
PSMB5 P28074 1/20 0.58
PSMB10 P40306 1/20 0.58
PSMB3 P49720 1/20 0.58

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
SCHEMBL9125736 1.00 ENPP2 (0.66) ENPP2DGAT2HPGDSOAT2SOAT1
SCHEMBL9524802 1.00 ENPP2 (0.66) ENPP2DGAT2HPGDSOAT2SOAT1
SCHEMBL31509861 1.00 ENPP2 (0.66) ENPP2DGAT2HPGDSOAT2SOAT1
SCHEMBL10865744 0.91 ENPP2 (0.56) ENPP2DGAT2HPGDSOAT2SOAT1
SCHEMBL18248595 0.89 ALDH1A1 (0.68) ENPP2DGAT2HPGDHDAC3HDAC4
SCHEMBL10682638 0.87 TP53 (0.66) HPGDHDAC3HDAC4HDAC1HDAC7
SCHEMBL9858666 0.87 ENPP2 (0.71) ENPP2DGAT2HPGDSOAT2SOAT1
SCHEMBL675018 0.87 ENPP2 (0.71) ENPP2DGAT2HPGDSOAT2SOAT1
SCHEMBL9510547 0.87 ENPP2 (0.71) ENPP2DGAT2HPGDSOAT2SOAT1
SCHEMBL18248630 0.87 HDAC3 (0.68) ENPP2DGAT2HPGDHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148937-A1 INHIBITING HYDROCARBON HYDRATE AGGLOMERATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2020-05-14 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-20200148937-A1 INHIBITING HYDROCARBON HYDRATE AGGLOMERATION H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AHR, SHH ENPP2 2151/4885DGAT2 1210/4885HPGD 169/4885

“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.