SCHEMBL21998912

SCHEMBL21998912

CCCCCCCCCC(=O)Nc1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 2/20 0.65
POLB P06746 1/20 0.54
PLK1 P53350 6/20 0.54
PLK3 Q9H4B4 1/20 0.53
SOAT1 P35610 2/20 0.52
HTT P42858 1/20 0.52
CETP P11597 1/20 0.50
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL21998893 1.00 KDM4E (0.65) KDM4EALDH1A1POLBPLK1PLK3
SCHEMBL2309800 1.00 KDM4E (0.65) KDM4EALDH1A1POLBPLK1PLK3
SCHEMBL21998687 1.00 KDM4E (0.65) KDM4EALDH1A1POLBPLK1PLK3
SCHEMBL10607307 0.93 SOAT2 (0.58) KDM4EALDH1A1POLBPLK1PLK3
SCHEMBL11380018 0.87 POLB (0.67) KDM4EALDH1A1POLBPLK1PLK3
SCHEMBL10978879 0.86 SELL (0.60) KDM4EALDH1A1POLBSOAT1HTT
SCHEMBL10983334 0.86 SELL (0.60) KDM4EALDH1A1POLBSOAT1HTT
SCHEMBL10981112 0.86 SELL (0.60) KDM4EALDH1A1POLBSOAT1HTT
SCHEMBL10983068 0.86 SELL (0.60) KDM4EALDH1A1POLBSOAT1HTT
SCHEMBL10982799 0.86 SELL (0.60) KDM4EALDH1A1POLBSOAT1HTT

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 KDM4E 4414/4885ALDH1A1 2259/4885POLB 2083/4885

“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.