SCHEMBL22209153

SCHEMBL22209153

CN1CCN(C(=O)C(C)(C)Oc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
LMNA P02545 4/20 0.61
MAPT P10636 4/20 0.61
MAPK1 P28482 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
ALOX15 P16050 1/20 0.61
HTT P42858 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
PPARA Q07869 6/20 0.60
PPARG P37231 2/20 0.60
FABP2 P12104 1/20 0.60
SLC22A12 Q96S37 1/20 0.60
TSHR P16473 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 1/20 0.57
HSD17B10 Q99714 1/20 0.57
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
CYP1A2 P05177 3/20 0.54

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
SCHEMBL15134823 0.93 ALDH1A1 (0.71) ALDH1A1LMNAMAPTMAPK1NPSR1
SCHEMBL18885262 0.90 PPARA (0.63) ALDH1A1LMNAMAPTMAPK1NPSR1
SCHEMBL22221468 0.88 PPARA (0.62) ALDH1A1LMNAMAPTMAPK1NPSR1
SCHEMBL22221441 0.86 ALDH1A1 (0.60) ALDH1A1LMNAMAPTMAPK1NPSR1
SCHEMBL22221567 0.86 ALDH1A1 (0.59) ALDH1A1LMNAMAPTMAPK1NPSR1
SCHEMBL22221579 0.85 ALDH1A1 (0.58) ALDH1A1LMNAMAPTMAPK1NPSR1
SCHEMBL24597769 0.82 ALDH1A1 (0.71) ALDH1A1LMNAMAPTMAPK1NPSR1
SCHEMBL22221446 0.82 ALDH1A1 (0.55) ALDH1A1LMNAMAPTMAPK1NPSR1
SCHEMBL10244960 0.81 ALDH1A1 (0.70) ALDH1A1LMNAMAPTMAPK1NPSR1
SCHEMBL23903336 0.81 ALDH1A1 (0.69) ALDH1A1LMNAMAPTMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220304957-A1 ANTI-CANCER COMPOSITIONS AND METHODS OF USE UNIV LOUISIANA STATE (US) 2022-09-29 US claimed
WO-2020146876-A2 ANTI-CANCER COMPOSITIONS AND METHODS OF USE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2020-07-16 WO claimed
US-20220304957-A1 ANTI-CANCER COMPOSITIONS AND METHODS OF USE UNIV LOUISIANA STATE (US) 2022-09-29 US disclosed
US-20220304957-A1 ANTI-CANCER COMPOSITIONS AND METHODS OF USE UNIV LOUISIANA STATE (US) 2022-09-29 US disclosed
WO-2020146876-A2 ANTI-CANCER COMPOSITIONS AND METHODS OF USE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2020-07-16 WO 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-20220304957-A1 ANTI-CANCER COMPOSITIONS AND METHODS OF USE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, MCL1 ALDH1A1 1988/4885LMNA 572/4885MAPT 3049/4885

“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.