SCHEMBL25937209

SCHEMBL25937209

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.38
TAS1R1 Q7RTX1 4/20 0.38
TAS1R2 Q8TE23 3/20 0.38
RORC P51449 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE4D Q08499 4/20 0.36
CA9 Q16790 1/20 0.35
KMT2A Q03164 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CYP19A1 P11511 1/20 0.34
DRD2 P14416 2/20 0.34
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
MAPT P10636 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
SCHEMBL25937211 0.86 DRD2 (0.36) ALDH1A1PDE4DCA9KMT2AHCRTR1
SCHEMBL25937383 0.80 DRD2 (0.37) RORCPDE4DCYP19A1DRD2PDE4A
SCHEMBL24978461 0.78 CACNB4 (0.42) TAS1R3TAS1R1TAS1R2KMT2ADRD2
SCHEMBL14416606 0.76 ALDH1A1 (0.59) TAS1R3TAS1R1TAS1R2KDM4EALDH1A1
SCHEMBL24977573 0.70 CACNB4 (0.41) TAS1R3TAS1R1TAS1R2KMT2ADRD2
SCHEMBL9146354 0.70 CXCR2 (0.36) TAS1R3TAS1R1TAS1R2RORCCYP19A1
SCHEMBL20855780 0.67 CYP3A4 (0.47) KDM4EALDH1A1HSD17B10CA9KMT2A
SCHEMBL20855913 0.67 SMN1; SMN2 (0.48) KDM4EALDH1A1HSD17B10CA9KMT2A
SCHEMBL25937250 0.66 MCHR1 (0.40) CYP19A1
SCHEMBL10497869 0.66 CA9 (0.51) KDM4EALDH1A1CA9KMT2AMAPT

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 TAS1R3 3581/4885TAS1R1 3442/4885TAS1R2 3720/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 TAS1R3 3581/4885TAS1R1 3442/4885TAS1R2 3720/4885

“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.