SCHEMBL23975224

SCHEMBL23975224

CC(C)NCCCN(C)CCCNC(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
CA14 Q9ULX7 1/20 0.36
KDM4E B2RXH2 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DRD4 P21917 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
DRD2 P14416 1/20 0.32
PTGS1 P23219 1/20 0.32
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DNM1 Q05193 1/20 0.31

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
SCHEMBL16316408 0.88 POLB (0.47) POLBCA14KDM4ETMEM97SIGMAR1
SCHEMBL23790072 0.84 MEN1 (0.45) POLBCA14KDM4EMAPTALDH1A1
SCHEMBL23975258 0.80 POLB (0.41) POLBCA14KDM4ETMEM97SIGMAR1
SCHEMBL25880987 0.79 ALDH1A1 (0.41) POLBKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL6773268 0.79 POLB (0.41) POLBKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL12542134 0.78 MAPT (0.35) CA14MAPTTDP1
SCHEMBL10201764 0.77 DNM1 (0.49) POLBCA14KDM4EMAPTHPGD
SCHEMBL12438387 0.77 EPHX1 (0.47) POLBDNM1
SCHEMBL16316406 0.77 POLB (0.42) POLBCA14KDM4EMAPTHPGD
SCHEMBL26707316 0.75 DNM1 (0.39) KDM4EHPGDALDH1A1SMN1; SMN2MEN1

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 POLB 2662/4885CA14 4153/4885KDM4E 693/4885

“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.