SCHEMBL5568672

SCHEMBL5568672

COC(=O)C(C)(C)CC(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.35
CYP1A2 P05177 1/20 0.35
FOLH1 Q04609 2/20 0.35
NAALAD2 Q9Y3Q0 2/20 0.35
DGAT1 O75907 1/20 0.34
MMP8 P22894 1/20 0.33
ENPEP Q07075 2/20 0.31
KCNN4 O15554 1/20 0.31
BLM P54132 1/20 0.31
ALDH1A1 P00352 1/20 0.31
APAF1 O14727 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL18098452 0.83 MMP8 (0.37) DGAT1MMP8ALDH1A1MEN1KMT2A
SCHEMBL10838592 0.83 MMP8 (0.37) DGAT1MMP8ALDH1A1MEN1KMT2A
SCHEMBL13788287 0.80 MMP8 (0.44) DGAT1MMP8KCNN4GAA
SCHEMBL14341034 0.80 MMP8 (0.35) DGAT1MMP8
SCHEMBL10595182 0.80 GABRR1 (0.42) GABRR1CYP1A2FOLH1NAALAD2DGAT1
SCHEMBL25131984 0.80 SLC1A3 (0.38) DGAT1MMP8
SCHEMBL15711664 0.80 MMP8 (0.35) GABRR1CYP1A2FOLH1NAALAD2DGAT1
SCHEMBL23772661 0.80 MMP8 (0.46) GABRR1CYP1A2MMP8ALDH1A1MEN1
SCHEMBL13039769 0.79 DGAT1 (0.31) DGAT1MMP8KMT2A
SCHEMBL12598259 0.79 MMP8 (0.45) DGAT1MMP8ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458661-B1 SEPARATION OF DIASTEREOISOMERS BASELL POLIOLEFINE SRL (IT) 2007-05-02 EP claimed
US-7067690-B2 Separation of diastereoisomers BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2006-06-27 US claimed
US-20050171379-A1 Separation of diastereoisomers BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2005-08-04 US claimed
CN-1608041-A Separation of diastereomers BASELL POLIOLEFINE SPA (IT) 2005-04-20 CN claimed
EP-1458661-A1 SEPARATION OF DIASTEREOISOMERS Basell Poliolefine Italia S.p.A. (IT) 2004-09-22 EP claimed
WO-2003055831-A1 SEPARATION OF DIASTEREOISOMERS BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2003-07-10 WO claimed
US-20210253564-A1 Pyridazine Derivatives as SMARCA2/4 Degraders AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-08-19 US disclosed
EP-1458661-B1 SEPARATION OF DIASTEREOISOMERS BASELL POLIOLEFINE SRL (IT) 2007-05-02 EP disclosed
US-7067690-B2 Separation of diastereoisomers BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2006-06-27 US disclosed
US-20050171379-A1 Separation of diastereoisomers BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2005-08-04 US disclosed
CN-1608041-A Separation of diastereomers BASELL POLIOLEFINE SPA (IT) 2005-04-20 CN disclosed
EP-1458661-A1 SEPARATION OF DIASTEREOISOMERS Basell Poliolefine Italia S.p.A. (IT) 2004-09-22 EP disclosed
WO-2003055831-A1 SEPARATION OF DIASTEREOISOMERS BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2003-07-10 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 (2 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-20210253564-A1 Pyridazine Derivatives as SMARCA2/4 Degraders SMARCC1, SMARCC2, SMARCA2 GABRR1 3239/4885CYP1A2 409/4885FOLH1 3266/4885
US-20050171379-A1 Separation of diastereoisomers SSB, C9, CA1 GABRR1 1896/4885CYP1A2 2438/4885FOLH1 1189/4885

“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.