SCHEMBL25950253

SCHEMBL25950253

CC(C)NCCOCCSSCCOC(=O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL126769 0.88 KDM4E (0.35) KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL21566545 0.85 MEN1 (0.36) KDM4ECYP1A2CYP2D6CYP2C19TDP1
SCHEMBL24064577 0.84 KDM4E (0.44) KDM4ECYP1A2CYP2D6CYP2C19POLB
SCHEMBL12438076 0.80 KDM4E (0.36) KDM4ECYP1A2CYP2D6CYP2C19POLB
SCHEMBL13430817 0.80 HDAC3 (0.36)
SCHEMBL12608885 0.76 ADRB2 (0.36)
SCHEMBL454478 0.75 ALDH1A1 (0.35) KDM4ECYP1A2CYP2D6CYP2C19TDP1
SCHEMBL19728773 0.73 HDAC3 (0.32)
SCHEMBL25952675 0.72 TSHR (0.40) TDP1
SCHEMBL10092557 0.72 KDM4E (0.42) KDM4ECYP1A2CYP2D6CYP2C19POLB

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-20230248835-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF FIBROTIC DISEASES AND CANCER PURDUE RESEARCH FOUNDATION 2023-08-10 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-20230248835-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF FIBROTIC DISEASES AND CANCER TLR9, TLR8, TLR7 KDM4E 1873/4885CYP1A2 4130/4885CYP2D6 4510/4885

“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.