SCHEMBL27140273

SCHEMBL27140273

CC(C)Cc1[nH]nc(C(C)C)c1O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ TSHR P16473 1/20 0.34
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ CYP1A2 P05177 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL27153252 0.83 CCNC (0.33) CCNCCDK8TSHRCYP1A2TDP1
SCHEMBL27146792 0.82 HCAR2 (0.36) —
SCHEMBL27145389 0.78 PDE5A (0.34) —
SCHEMBL27144103 0.78 CCNC (0.36) CCNCCDK8TSHRGABRA1GABRB2
SCHEMBL27140283 0.76 HCAR2 (0.41) —
SCHEMBL27153951 0.74 CCNC (0.35) CCNCCDK8TSHRGABRA1GABRB2
SCHEMBL27154597 0.73 CCNC (0.34) CCNCCDK8TSHRGABRA1GABRB2
SCHEMBL27154336 0.72 CCNC (0.33) CCNCCDK8TSHRCYP1A2TDP1
SCHEMBL27140486 0.70 SMPD3 (0.34) —
SCHEMBL27153506 0.67 HCAR2 (0.34) TSHR

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 433/4885TSHR 4877/4885

“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.

Send feedback