SCHEMBL22651218

SCHEMBL22651218

CCC(C)NCCCN1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
HPGD P15428 1/20 0.49
DUSP3 P51452 1/20 0.49
PAOX Q6QHF9 1/20 0.44
KEAP1 Q14145 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 2/20 0.41
HIF1A Q16665 1/20 0.41
CYP1A2 P05177 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
HTR2A P28223 1/20 0.41
SCN1A P35498 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN2A Q99250 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL23919511 0.95 ALDH1A1 (0.50) ALDH1A1HPGDDUSP3PAOXKEAP1
SCHEMBL22456024 0.89 ALDH1A1 (0.46) ALDH1A1HPGDDUSP3KEAP1SMN1; SMN2
SCHEMBL28984367 0.87 TP53 (0.44) ALDH1A1SMN1; SMN2LMNAKDM4ECYP2C19
SCHEMBL4312012 0.84 HPGD (0.53) ALDH1A1HPGDDUSP3PAOXKEAP1
SCHEMBL19091257 0.84 CARM1 (0.42) ALDH1A1SMN1; SMN2LMNAKDM4EHRH3
SCHEMBL25788470 0.83 HPGD (0.46) ALDH1A1HPGDDUSP3PAOXKEAP1
SCHEMBL22479356 0.83 ALDH1A1 (0.46) ALDH1A1HPGDDUSP3PAOXKEAP1
SCHEMBL19091210 0.83 ALDH1A1 (0.46) ALDH1A1HPGDDUSP3PAOXKEAP1
SCHEMBL20332904 0.82 HRH3 (0.45) ALDH1A1SMN1; SMN2LMNAKDM4EMAPK1
SCHEMBL14654566 0.82 ALDH1A1 (0.48) ALDH1A1HPGDDUSP3PAOXKEAP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-11446299-B2 Carbazole EHop-016 derivatives as anticancer and anti-migratory agents UNIVERSITY OF PUERTO RICO (US) 2022-09-20 US disclosed
US-20200352941-A1 NOVEL CARBAZOLE EHOP-016 DERIVATIVES AS ANTI-CANCER AND ANTI-MIGRATORY AGENTS UNIV PUERTO RICO (US) 2020-11-12 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 (3 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-20200352941-A1 NOVEL CARBAZOLE EHOP-016 DERIVATIVES AS ANTI-CANCER AND ANTI-MIGRATORY AGENTS CDC42, ARHGEF2, ARHGDIB ALDH1A1 3580/4885HPGD 898/4885DUSP3 618/4885
US-11446299-B2 Carbazole EHop-016 derivatives as anticancer and anti-migratory agents CDC42, ARHGEF2, HRAS ALDH1A1 3604/4885HPGD 786/4885DUSP3 679/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 ALDH1A1 2264/4885HPGD 1425/4885DUSP3 1021/4885

“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.