SCHEMBL25937331

SCHEMBL25937331

COc1cccc(O[C@@H]2CC[C@H](C)C2)c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.50
ALDH1A1 P00352 3/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLL Q9UGP5 1/20 0.33
GAA P10253 1/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GALR3 O60755 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL25937333 0.83 MCHR1 (0.49) MCHR1ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL25937260 0.74 MCHR1 (0.40) MCHR1
SCHEMBL25937272 0.74 MCHR1 (0.40) MCHR1
SCHEMBL25937287 0.74 MCHR1 (0.49) MCHR1
SCHEMBL1501174 0.73 CA1 (0.58) ALDH1A1NPSR1KDM4ELMNAHPGD
SCHEMBL17968583 0.72 MCHR1 (0.47) MCHR1ALDH1A1GAA
SCHEMBL25937261 0.72 MCHR1 (0.39) MCHR1
SCHEMBL25937273 0.72 MCHR1 (0.39) MCHR1
Ammonia Solution, Strong SCHEMBL2233000 0.71 CA1 (0.55) ALDH1A1NPSR1KDM4ELMNAHPGD
SCHEMBL24498617 0.70 MCHR1 (0.48) MCHR1ALDH1A1KMT2AMEN1LMNA

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 MCHR1 4279/4885ALDH1A1 2769/4885TAS1R3 3581/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 MCHR1 4279/4885ALDH1A1 2769/4885TAS1R3 3581/4885

“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.