SCHEMBL20224875

SCHEMBL20224875

CC(C)(C)OC(=O)C1C=CC(O)=C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
NFKB1 P19838 5/20 0.36
NFKB2 Q00653 5/20 0.36
RELA Q04206 5/20 0.36
RECQL P46063 1/20 0.31

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
SCHEMBL882850 0.75 MAPK1 (0.40) MAPK1NFKB1NFKB2RELARECQL
SCHEMBL13947270 0.73 MAPK1 (0.39) MAPK1NFKB1NFKB2RELARECQL
SCHEMBL18901801 0.67 NFKB1 (0.40) NFKB1NFKB2RELA
SCHEMBL11438423 0.67 MAPK1 (0.39) MAPK1NFKB1NFKB2RELA
SCHEMBL23007075 0.66 NFKB1 (0.38) MAPK1NFKB1NFKB2RELARECQL
SCHEMBL15414408 0.64 MAPK1 (0.34) MAPK1NFKB1NFKB2RELA
SCHEMBL2535414 0.63 MAPK1 (0.42) MAPK1NFKB1NFKB2RELA
SCHEMBL28776161 0.63 NFKB1 (0.39) MAPK1NFKB1NFKB2RELARECQL
SCHEMBL21367073 0.62 MAPK1 (0.33) MAPK1
SCHEMBL7528687 0.62 MAPK1 (0.38) MAPK1NFKB1NFKB2RELARECQL

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-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2018-06-07 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-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, DRD3, ARRB1 MAPK1 617/4885NFKB1 2241/4885NFKB2 1393/4885
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 MAPK1 1641/4885NFKB1 2889/4885NFKB2 2120/4885

“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.