SCHEMBL27139358

SCHEMBL27139358

CC(C)Cc1n[nH]c(C(C)C)c1O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ CCNB2 O95067 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNB3 Q8WWL7 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ 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
SCHEMBL27144006 0.83 KDM4E (0.33) KDM4EUSP2HPGDHSD17B10TSHR
SCHEMBL27147361 0.82 CCNB2 (0.31) CCNB2CDK1CCNB1CCNB3
SCHEMBL27147095 0.78 HTT (0.34) CCNB2CDK1CCNB1CCNB3
SCHEMBL27143023 0.78 KDM4E (0.40) KDM4EUSP2HPGDHSD17B10TSHR
SCHEMBL27144103 0.78 CCNC (0.36) KDM4EUSP2HPGDHSD17B10TSHR
SCHEMBL27144131 0.76 HCAR2 (0.36) HPGDTSHRCCNB2CDK1CCNB1
SCHEMBL27150686 0.73 KDM4E (0.33) KDM4EUSP2HPGDHSD17B10TSHR
SCHEMBL27152985 0.72 KDM4E (0.33) KDM4EUSP2HPGDHSD17B10TSHR
SCHEMBL27140486 0.70 SMPD3 (0.34) CCNB2CDK1CCNB1CCNB3
SCHEMBL27151848 0.67 TSHR (0.31) TSHRCCNB2CDK1CCNB1CCNB3

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 KDM4E 1624/4885USP2 780/4885HPGD 513/4885

“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