SCHEMBL22375129

SCHEMBL22375129

CC(C)(C)NCCOCCOC(C)(C)CCC(C)(C)NCCOCCOCCOC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL21673610 0.94 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL20234248 0.93 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL18611606 0.92
SCHEMBL26028139 0.89 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL24453193 0.86 KDM4E (0.36) KDM4EALDH1A1
SCHEMBL17552869 0.84 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL18591737 0.84 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL18591724 0.84 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL12391953 0.84 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL17552863 0.84 KDM4E (0.39) KDM4EALDH1A1

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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same PPP5C, PPP4C, DUSP26 KDM4E 2696/4885ALDH1A1 3756/4885

“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.