SCHEMBL27154336

SCHEMBL27154336

CCCc1n[nH]c(CC(C)C)c1O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HCAR2 Q8TDS4 3/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ALPL P05186 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
SCHEMBL27149607 0.90 HCAR2 (0.40) CCNCCDK8HCAR2TSHR
SCHEMBL27152985 0.86 KDM4E (0.33) CCNCCDK8HCAR2TSHRCYP1A2
SCHEMBL27153951 0.85 CCNC (0.35) CCNCCDK8HCAR2TSHRCYP1A2
SCHEMBL27144103 0.85 CCNC (0.36) CCNCCDK8TSHRCYP1A2TDP1
SCHEMBL27140068 0.83 HTT (0.37) HTTHCAR2ALPL
SCHEMBL27138735 0.81 HCAR2 (0.36) HTTHCAR2ALPL
SCHEMBL27143241 0.79 HCAR2 (0.43) HCAR2TSHR
SCHEMBL27144214 0.78 HCAR2 (0.44) HTTHCAR2TSHRALPL
SCHEMBL27147095 0.74 HTT (0.34) HTTHCAR2ALPL
SCHEMBL27143712 0.74 HCAR2 (0.40) HTTHCAR2TSHRCYP1A2

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 4 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

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 CCNC 504/4885CDK8 433/4885HTT 1252/4885

“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.

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