SCHEMBL23869397

SCHEMBL23869397

Cc1noc(C)c1CC(=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.48
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL2972393 0.79 P2RX7 (0.53) P2RX7ALDH1A1
SCHEMBL10242696 0.79 P2RX7 (0.49) P2RX7ALDH1A1
SCHEMBL2172793 0.79 P2RX7 (0.49) P2RX7ALDH1A1L3MBTL1
SCHEMBL14759859 0.77 P2RX7 (0.48) P2RX7ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL1372267 0.77 P2RX7 (0.48) P2RX7ALDH1A1L3MBTL1
SCHEMBL23869398 0.76 P2RX7 (0.47) P2RX7ALDH1A1
SCHEMBL15980738 0.74 CYP1A2 (0.33) P2RX7ALDH1A1L3MBTL1
SCHEMBL352491 0.74 P2RX7 (0.56) P2RX7
SCHEMBL18255993 0.74 P2RX7 (0.49) P2RX7ALDH1A1L3MBTL1
SCHEMBL13235907 0.73 ALDH1A1 (0.42) P2RX7ALDH1A1L3MBTL1

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-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-30 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-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT P2RX7 2683/4885ALDH1A1 373/4885L3MBTL1 4549/4885

“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.