SCHEMBL22692045

SCHEMBL22692045

COC(=O)C[C@]1(CCCC(=O)O)CCc2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.44
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
FFAR4 Q5NUL3 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL22692046 1.00 DGAT1 (0.44) DGAT1NPSR1MEN1MAPTKMT2A
SCHEMBL22692094 1.00 DGAT1 (0.44) DGAT1NPSR1MEN1MAPTKMT2A
SCHEMBL22692135 0.93 DGAT1 (0.45) DGAT1NPSR1MEN1MAPTKMT2A
SCHEMBL22709341 0.93 DGAT1 (0.41) DGAT1NPSR1MEN1MAPTKMT2A
SCHEMBL22692134 0.93 DGAT1 (0.45) DGAT1NPSR1MEN1MAPTKMT2A
SCHEMBL22709879 0.93 DGAT1 (0.41) DGAT1NPSR1MEN1MAPTKMT2A
SCHEMBL22709891 0.88 BACE1 (0.45) DGAT1NPSR1MEN1MAPTKMT2A
SCHEMBL29423693 0.88 BACE1 (0.45) DGAT1NPSR1MEN1MAPTKMT2A
SCHEMBL22709347 0.85 HDAC9 (0.38) HTR2C
SCHEMBL22692086 0.83 FFAR4 (0.37) DGAT1NPSR1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220227738-A1 KRAS G12C INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-07-21 US disclosed
WO-2022115439-A1 KRAS G12C INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-06-02 WO disclosed
EP-3972978-A1 KRAS G12C INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-03-30 EP disclosed
WO-2020236940-A1 KRAS G12C INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-11-26 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-20220227738-A1 KRAS G12C INHIBITORS AND USES THEREOF KRAS, NRAS, HRAS DGAT1 1064/4885NPSR1 4763/4885MEN1 408/4885

“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.