SCHEMBL25753014

SCHEMBL25753014

CNC(=O)CNCOCCOCCOCCOCCOCCOCCOCCOCCNCCCCCNO

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 4/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL25753021 0.74 ALDH1A1 (0.41) KDM4EALDH1A1KMT2A
SCHEMBL25160320 0.73 KDM4E (0.38) CYP1A2CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL13793446 0.71 TSHR (0.39) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL24856128 0.70 TSHR (0.41) CYP1A2CYP2D6KDM4EGAAALDH1A1
SCHEMBL13793645 0.69 KDM4E (0.42) KDM4EGAAALDH1A1
SCHEMBL8183109 0.67 S1PR2 (0.50) GAAALDH1A1
SCHEMBL20724268 0.66 MAPT (0.32) ALDH1A1
SCHEMBL27368808 0.66 GAA (0.40) GAAMEN1KMT2ALMNA
SCHEMBL20234596 0.65 DPP4 (0.37) KDM4EGAA
SCHEMBL31631394 0.65 PRMT1 (0.50) ALDH1A1MEN1KMT2ALMNA

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-11685742-B2 Anti-tumor compound and preparation method and use thereof DUALITY BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-06-27 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-11685742-B2 Anti-tumor compound and preparation method and use thereof RCC2, REN, VHL CYP1A2 3971/4885CYP3A4 2201/4885CYP2D6 2930/4885

“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.