SCHEMBL22692008

SCHEMBL22692008

C=CCC1(CCCC(=O)O)CCc2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR2A P28223 7/20 0.37
HTR2C P28335 7/20 0.37
HTR2B P41595 7/20 0.37
SIGMAR1 Q99720 7/20 0.37
DRD2 P14416 5/20 0.37
DGAT1 O75907 3/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
APEX1 P27695 1/20 0.34

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
SCHEMBL22692119 1.00 L3MBTL1 (0.43) L3MBTL1LMNAHTTNPSR1HTR2A
SCHEMBL22692007 1.00 L3MBTL1 (0.43) L3MBTL1LMNAHTTNPSR1HTR2A
SCHEMBL22692083 0.93 LMNA (0.45) L3MBTL1LMNAHTTNPSR1HTR2A
SCHEMBL22692085 0.93 LMNA (0.45) L3MBTL1LMNAHTTNPSR1HTR2A
SCHEMBL28715014 0.86 BRD4 (0.41) L3MBTL1LMNAHTTNPSR1HTR2A
SCHEMBL22709340 0.86 BRD4 (0.41) L3MBTL1LMNAHTTNPSR1HTR2A
SCHEMBL29423770 0.86 BRD4 (0.41) L3MBTL1LMNAHTTNPSR1HTR2A
SCHEMBL22692056 0.82 FFAR4 (0.39) FFAR4
SCHEMBL22692054 0.82 FFAR4 (0.39) FFAR4
SCHEMBL22692068 0.82 FFAR4 (0.39) FFAR4

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-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
CN-114096544-A KRAS G12C inhibitors and uses thereof 加州理工学院 2022-02-25 CN 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 L3MBTL1 3176/4885LMNA 3417/4885HTT 2319/4885

“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.