SCHEMBL21998667

SCHEMBL21998667

CCCCCCCCCC(=O)Nc1ccc(C(=O)OC)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
LMNA P02545 2/20 0.62
CNR1 P21554 1/20 0.61
CASP1 P29466 2/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
THRA P10827 1/20 0.60
THRB P10828 1/20 0.60
MAPT P10636 1/20 0.59
ALDH1A1 P00352 2/20 0.59
HTT P42858 1/20 0.59
ENPP2 Q13822 1/20 0.58
DGAT2 Q96PD7 1/20 0.58
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

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
SCHEMBL21998749 1.00 MEN1 (0.66) MEN1KMT2ALMNACNR1CASP1
SCHEMBL21999373 1.00 MEN1 (0.66) MEN1KMT2ALMNACNR1CASP1
SCHEMBL2839586 0.98 MEN1 (0.68) MEN1KMT2ALMNACNR1CASP1
SCHEMBL9198473 0.94 MEN1 (0.70) MEN1KMT2ALMNACASP1NPC1
SCHEMBL20777928 0.92 CNR1 (0.75) MEN1KMT2ALMNACNR1CASP1
SCHEMBL21998741 0.88 GAA (0.68) MEN1KMT2ALMNARAB9ATHRA
SCHEMBL21998653 0.88 GAA (0.68) MEN1KMT2ALMNARAB9ATHRA
SCHEMBL5217418 0.88 GAA (0.68) MEN1KMT2ALMNARAB9ATHRA
SCHEMBL1577697 0.88 HDAC1 (0.71) MEN1KMT2ALMNACASP1MAPT
SCHEMBL11892328 0.88 MEN1 (0.66) MEN1KMT2ALMNACASP1NPC1

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 MEN1 2749/4885KMT2A 1794/4885LMNA 2397/4885

“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.