SCHEMBL21998915

SCHEMBL21998915

CCCCCCCCCC(=O)NCCN1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
FAAH O00519 4/20 0.56
ALDH1A1 P00352 2/20 0.55
DNM1 Q05193 2/20 0.53
CASP2 P42575 1/20 0.51
PLD1 Q13393 2/20 0.50
OPRD1 P41143 1/20 0.50
NAAA Q02083 1/20 0.49
MAPT P10636 1/20 0.48
EPHX2 P34913 2/20 0.47
SELP P16109 1/20 0.47

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
SCHEMBL21998652 1.00 KDM4E (0.59) KDM4EFAAHALDH1A1DNM1CASP2
SCHEMBL21998654 1.00 KDM4E (0.59) KDM4EFAAHALDH1A1DNM1CASP2
SCHEMBL9633481 0.98 KDM4E (0.62) KDM4EFAAHALDH1A1DNM1CASP2
SCHEMBL21998740 0.98 KDM4E (0.62) KDM4EFAAHALDH1A1DNM1CASP2
SCHEMBL21998662 0.98 KDM4E (0.62) KDM4EFAAHALDH1A1DNM1CASP2
SCHEMBL21998674 0.98 KDM4E (0.62) KDM4EFAAHALDH1A1DNM1CASP2
SCHEMBL8587735 0.98 KDM4E (0.62) KDM4EFAAHALDH1A1DNM1CASP2
SCHEMBL20900504 0.98 KDM4E (0.57) KDM4EFAAHALDH1A1DNM1CASP2
SCHEMBL13462681 0.93 ALDH1A1 (0.61) KDM4EFAAHALDH1A1CASP2OPRD1
SCHEMBL13661579 0.92 ALDH1A1 (0.64) KDM4EALDH1A1MAPT

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 4414/4885FAAH 376/4885ALDH1A1 2259/4885

“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.