SCHEMBL21998742

SCHEMBL21998742

CCCCCCCCCCCCC(=O)NCc1ccco1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.62
ALDH1A1 P00352 7/20 0.62
L3MBTL1 Q9Y468 4/20 0.62
POLB P06746 3/20 0.62
MAPT P10636 3/20 0.62
KDM4E B2RXH2 2/20 0.62
PTPN7 P35236 1/20 0.62
HSD17B10 Q99714 1/20 0.62
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
CYP1A2 P05177 3/20 0.61
CYP2C19 P33261 3/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
RAB9A P51151 1/20 0.61
EPHX2 P34913 3/20 0.60
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55

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
SCHEMBL4132255 1.00 HPGD (0.62) HPGDALDH1A1L3MBTL1POLBMAPT
SCHEMBL21998666 1.00 HPGD (0.62) HPGDALDH1A1L3MBTL1POLBMAPT
SCHEMBL2749570 0.98 HPGD (0.64) HPGDALDH1A1L3MBTL1POLBMAPT
SCHEMBL2926521 0.88 ALDH1A1 (0.69) HPGDALDH1A1L3MBTL1POLBMAPT
SCHEMBL19726938 0.88 HPGD (0.73) HPGDALDH1A1L3MBTL1POLBMAPT
SCHEMBL7553242 0.87 HPGD (0.64) HPGDALDH1A1L3MBTL1POLBMAPT
SCHEMBL19733742 0.84 HPGD (0.64) HPGDALDH1A1L3MBTL1POLBMAPT
SCHEMBL28180601 0.83 HPGD (0.68) HPGDALDH1A1L3MBTL1POLBMAPT
SCHEMBL9062544 0.82 HPGD (0.68) HPGDALDH1A1L3MBTL1POLBMAPT
SCHEMBL14264740 0.82 TDP1 (0.59) HPGDALDH1A1POLBMAPTCYP1A2

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 HPGD 169/4885ALDH1A1 2259/4885L3MBTL1 2733/4885

“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.