SCHEMBL23401548

SCHEMBL23401548

CCCc1nn(C(C)C)cc1O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 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
SCHEMBL23398904 0.89 NPC1 (0.34) ADORA3ADORA2AADORA1
SCHEMBL23399803 0.85 ADORA2A (0.33) ADORA3ADORA2AADORA1
SCHEMBL23402687 0.79 KDM4E (0.42) ADORA2AADORA1
SCHEMBL23402399 0.75 ACHE (0.36)
SCHEMBL23403400 0.75 C1S (0.33)
SCHEMBL23403362 0.73 HTT (0.40)
SCHEMBL23401980 0.72 L3MBTL1 (0.36)
SCHEMBL23400652 0.70
SCHEMBL23400639 0.70 ADORA2A (0.33) ADORA3ADORA2AADORA1
SCHEMBL23398566 0.68 ADORA2A (0.33) ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208911-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2024-06-27 US disclosed
WO-2022223336-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2022-10-27 WO disclosed
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP 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-20240208911-A1 POLYMERIZATION INHIBITORS CDK5, CABLES1, DPYD ADORA3 4650/4885ADORA2A 4815/4885ADORA1 4677/4885

“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.