SCHEMBL22332263

SCHEMBL22332263

CCC1CCN(C(=O)COC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
GNAI3 P08754 2/20 0.39
GNAO1 P09471 2/20 0.39
GNAI1 P63096 2/20 0.39
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 1/20 0.36
NPC1 O15118 1/20 0.36
HSD11B1 P28845 1/20 0.36
THRB P10828 1/20 0.35
AOC2 O75106 1/20 0.35

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
SCHEMBL26138812 0.87 ALDH1A1 (0.40) ALDH1A1GNAI3GNAO1GNAI1MEN1
SCHEMBL22585186 0.85 ALDH1A1 (0.39) ALDH1A1GNAI3GNAO1GNAI1MEN1
SCHEMBL20381555 0.83 ALDH1A1 (0.55) ALDH1A1MEN1TSHRKMT2AL3MBTL1
SCHEMBL20381498 0.82 ALDH1A1 (0.37) ALDH1A1MEN1TSHRKMT2ANPC1
SCHEMBL22332225 0.81 ALDH1A1 (0.37) ALDH1A1MEN1TSHRKMT2AL3MBTL1
SCHEMBL16591600 0.81 CYP2D6 (0.45) ALDH1A1MEN1TSHRKMT2AL3MBTL1
SCHEMBL8430270 0.81 ALDH1A1 (0.46) ALDH1A1GNAI3GNAO1GNAI1KMT2A
SCHEMBL25039064 0.81 ALDH1A1 (0.57) ALDH1A1MEN1TSHRKMT2AL3MBTL1
SCHEMBL22875052 0.79 ALDH1A1 (0.62) ALDH1A1GNAI3GNAO1GNAI1L3MBTL1
SCHEMBL26138840 0.79 BDKRB1 (0.38) ALDH1A1HSD11B1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-02-29 US disclosed
US-11718630-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 US disclosed
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-04 US disclosed
US-20210230183-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-07-29 US disclosed
US-11008334-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-18 US disclosed
US-20200255446-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-08-13 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 (6 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-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS ALDH1A1 2792/4885GNAI3 209/4885GNAO1 1080/4885
US-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS ALDH1A1 2792/4885GNAI3 209/4885GNAO1 1080/4885
US-20210230183-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS ALDH1A1 2792/4885GNAI3 209/4885GNAO1 1080/4885
US-20200255446-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS ALDH1A1 2792/4885GNAI3 209/4885GNAO1 1080/4885
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS ALDH1A1 2792/4885GNAI3 209/4885GNAO1 1080/4885
US-11008334-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS ALDH1A1 2792/4885GNAI3 209/4885GNAO1 1080/4885

“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.