SCHEMBL30829050

SCHEMBL30829050

CC(C)C(=O)OC1CCc2ccccc2CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.44
CHRM4 P08173 4/20 0.44
CHRM5 P08912 4/20 0.44
CHRM3 P20309 4/20 0.44
CHRM2 P08172 4/20 0.44
CYP2D6 P10635 4/20 0.44
LMNA P02545 3/20 0.44
BLM P54132 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
THRB P10828 2/20 0.44
PMP22 Q01453 2/20 0.44
CYP2C9 P11712 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 2/20 0.44
MTOR P42345 1/20 0.44
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
CYP19A1 P11511 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL16691724 0.92 MTNR1A (0.45) CHRM1CHRM4CHRM5CHRM3CHRM2
SCHEMBL8294603 0.82 FABP7 (0.46) CHRM1CHRM4CHRM5CHRM3CHRM2
SCHEMBL29697543 0.80 MTNR1A (0.49) CHRM1CHRM4CHRM5CHRM3LMNA
SCHEMBL14838283 0.79 IDO1 (0.51) CHRM4PIN1TSHR
SCHEMBL754296 0.77
SCHEMBL29697547 0.76 MTNR1A (0.53) CHRM1CHRM4CHRM5CHRM3MEN1
SCHEMBL2419961 0.73 CYP19A1 (0.50) CHRM1CHRM4CHRM5CHRM3CHRM2
SCHEMBL7915891 0.73 CYP19A1 (0.46) CHRM1CHRM4CHRM5CHRM3CHRM2
SCHEMBL30612403 0.72 MTNR1A (0.53) CHRM4KMT2AMTNR1AMTNR1BTSHR
SCHEMBL6668382 0.72 PDPK1 (0.44) CYP2D6CYP2C9PIN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240101573-A1 MACROCYCLIC K-RAS G12C INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-03-28 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 (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-20240101573-A1 MACROCYCLIC K-RAS G12C INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, HRAS CHRM1 4851/4885CHRM4 4850/4885CHRM5 4867/4885

“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.