SCHEMBL24701914

SCHEMBL24701914

CCCN(CCC)CCOC(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
NPBWR1 P48145 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCHR1 Q99705 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL23977797 0.91 MEN1 (0.33) KDM4E
SCHEMBL12120256 0.89 KDM4E (0.33) KDM4E
SCHEMBL22137686 0.84 HTT (0.33)
SCHEMBL5002480 0.82 MEN1 (0.41) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9705242 0.81 ALDH1A1 (0.32) ALDH1A1NPBWR1SMN1; SMN2MCHR1
SCHEMBL24245899 0.81 MEN1 (0.33) ALDH1A1
SCHEMBL22753504 0.81 MEN1 (0.33) ALDH1A1
SCHEMBL9700091 0.81 ALDH1A1 (0.35) ALDH1A1NPBWR1SMN1; SMN2MCHR1
SCHEMBL29339694 0.80 BLM (0.46) ALDH1A1NPBWR1SMN1; SMN2MCHR1KDM4E
SCHEMBL25925304 0.80 PIK3CD (0.43) KDM4E

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-20220389017-A1 NOVEL PURINE DERIVATIVE, INTERMEDIATE AND APPLICATION THEREOF IN PREPARING ANTICANCER MEDICINE SUZHOU RAYMON PHARMACEUTICALS COMPANY, LTD. (CN) 2022-12-08 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-20220389017-A1 NOVEL PURINE DERIVATIVE, INTERMEDIATE AND APPLICATION THEREOF IN PREPARING ANTICANCER MEDICINE PNP, ENTPD5, NTPCR ALDH1A1 999/4885NPBWR1 3852/4885SMN1; SMN2 3525/4885

“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.