SCHEMBL23399385

SCHEMBL23399385

CCCc1nn(CCC)c(C)c1O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
POLB P06746 1/20 0.33
ESR1 P03372 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL23401809 0.89 FFAR1 (0.33) ADORA2AADORA2BPOLBESR1
SCHEMBL23398864 0.89 NR1H3 (0.37) POLBESR1
SCHEMBL23399635 0.86 LMNA (0.34)
SCHEMBL23401073 0.86 ADORA2A (0.35) ADORA2AADORA2BPOLBESR1
SCHEMBL23399061 0.82 ADORA2A (0.32) ADORA2AADORA2BESR1SMN1; SMN2USP2
SCHEMBL23403591 0.81 NR1H3 (0.37) POLBESR1
SCHEMBL23401491 0.80 APAF1 (0.33) SMN1; SMN2
SCHEMBL23400442 0.80 KDM4E (0.35) ADORA2AADORA2BPOLBUSP2
SCHEMBL23400716 0.80 SMN1; SMN2 (0.38) POLBSMN1; SMN2
SCHEMBL23398762 0.78 ADORA2A (0.46) ADORA2AADORA2BPOLBESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208911-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2024-06-27 US disclosed
EP-4326783-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2024-02-28 EP disclosed
CN-117222675-A polymerization inhibitor 巴斯夫欧洲公司 2023-12-12 CN 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 ADORA2A 4815/4885ADORA2B 4472/4885POLB 606/4885

“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.