SCHEMBL25937211

SCHEMBL25937211

COc1ccc(C)c(O[C@@H]2CC[C@H](C)C2)c1C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
CA9 Q16790 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP19A1 P11511 1/20 0.34
MCHR1 Q99705 1/20 0.33
CYP3A4 P08684 1/20 0.33
PDE4B Q07343 3/20 0.32
KMT2A Q03164 2/20 0.32
PDE4D Q08499 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL25937383 0.91 DRD2 (0.37) DRD2GAAMAPK1CYP19A1MCHR1
SCHEMBL25937209 0.86 TAS1R3 (0.38) DRD2CA9HCRTR1HCRTR2CYP19A1
SCHEMBL24977320 0.78 CACNB4 (0.39) DRD2PDE4BKMT2ACHRM4
SCHEMBL25937375 0.74 GPR6 (0.36) DRD2HCRTR1HCRTR2CYP19A1MCHR1
SCHEMBL25937378 0.73 MAPT (0.40) DRD2CYP19A1MCHR1KMT2AMEN1
SCHEMBL24977609 0.69 KDM1A (0.40) DRD2PDE4BKMT2A
SCHEMBL10497869 0.67 CA9 (0.51) CA9GAAMAPK1CYP3A4KMT2A
SCHEMBL24497063 0.66 CA9 (0.58) CA9GAAMAPK1CYP3A4KMT2A
SCHEMBL24978461 0.66 CACNB4 (0.42) DRD2PDE4BKMT2A
SCHEMBL25937246 0.65 MCHR1 (0.41) CYP19A1MCHR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-10-05 US disclosed
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2023-07-25 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 (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-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF CHEK1, CHEK2, RAD1 DRD2 4867/4885CA9 3771/4885HCRTR1 4420/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 DRD2 4867/4885CA9 3771/4885HCRTR1 4420/4885

“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.