SCHEMBL21734091

SCHEMBL21734091

COc1cc(C2CC(=O)CCC2C)c2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
TP53 P04637 1/20 0.37
CDC25B P30305 4/20 0.37
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
ALOX5 P09917 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MTNR1A P48039 1/20 0.34
GAA P10253 1/20 0.34
HSD11B1 P28845 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL30834557 1.00 CASP3 (0.38) CASP3SENP7TP53CDC25BALDH1A1
SCHEMBL28900322 0.84 ALOX5 (0.40) CASP3SENP7ALDH1A1HPGDSMN1; SMN2
SCHEMBL26268546 0.83 CYP1A2 (0.39) ALDH1A1MAPTHPGDKDM4ECYP1A2
SCHEMBL21733514 0.83 CA12 (0.36) MEN1KMT2A
SCHEMBL21733901 0.79 PDE10A (0.42) CASP3SENP7TP53CDC25BALDH1A1
SCHEMBL30834552 0.79 PDE10A (0.42) CASP3SENP7TP53CDC25BALDH1A1
SCHEMBL21722300 0.74 KDM1A (0.37) CASP3SENP7TP53TDP1MEN1
SCHEMBL30834559 0.73 SRC (0.38) CASP3SENP7TP53CDC25BALDH1A1
SCHEMBL21722230 0.73 SRC (0.38) CASP3SENP7TP53CDC25BALDH1A1
SCHEMBL21722195 0.72 CASP3 (0.38) CASP3SENP7TP53CDC25BALDH1A1

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-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-20230002345-A1 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-01-05 US disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 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 (2 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-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS CASP3 3166/4885SENP7 949/4885TP53 23/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS CASP3 3166/4885SENP7 949/4885TP53 23/4885

“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.