SCHEMBL23975101

SCHEMBL23975101

CC(C)(C)NCCOCCOCCOCCOCCC(=O)NCCOCCOCCNC(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA4 P22748 4/20 0.35
CA9 Q16790 4/20 0.35
CA14 Q9ULX7 4/20 0.35
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 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
SCHEMBL23975097 0.93 CASP2 (0.38) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL23975098 0.93 CASP2 (0.38) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL21992379 0.91 MEN1 (0.41) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL26218117 0.91 MEN1 (0.43) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL26218120 0.91 MEN1 (0.43) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL26218118 0.91 MEN1 (0.43) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL23594355 0.91 MEN1 (0.43) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL23975256 0.91 MEN1 (0.43) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL23682905 0.89 KDM4E (0.40) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL24919562 0.88 KDM4E (0.38) KDM4EALDH1A1MEN1KMT2ACA12

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-20210338825-A1 DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-04 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-20210338825-A1 DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN HAVCR2, CUL4A, PSMC3 KDM4E 693/4885ALDH1A1 1026/4885MEN1 4716/4885

“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.