SCHEMBL2723926

SCHEMBL2723926

COc1ccc(CC(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.54
SLC6A4 P31645 1/20 0.49
MMP1 P03956 2/20 0.45
ACACB O00763 1/20 0.45
ALDH1A1 P00352 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
FPR2 P25090 1/20 0.42

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
SCHEMBL13108101 0.88 ACACB (0.51) LDHAACACBPPARGPPARA
SCHEMBL8628683 0.84 ESR1 (0.47) ITGA4ITGB7
SCHEMBL15697338 0.84 ESR1 (0.47) ITGA4ITGB7
SCHEMBL13623718 0.83 LDHA (0.61) LDHASLC6A4ACACBALDH1A1HTT
SCHEMBL7518497 0.83 LDHA (0.53) LDHASLC6A4MMP1ACACBPPARG
SCHEMBL7346010 0.83 LDHA (0.53) LDHASLC6A4MMP1ACACBPPARG
SCHEMBL106531 0.83 LDHA (0.53) LDHASLC6A4MMP1ACACBPPARG
SCHEMBL13575226 0.83 LDHA (0.53) LDHASLC6A4MMP1ACACBPPARG
SCHEMBL12317087 0.83 CYP3A4 (0.42) CYP1A2CYP2D6CYP2C19ITGA4ITGB7
SCHEMBL17022258 0.82 LMNA (0.51) ACACBALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
EP-2632269-B1 CYCLIC AMINE SUBSTITUTED OXAZOLIDINONES AS CETP INHIBITORS MERCK SHARP & DOHME (US) 2017-03-15 EP disclosed
US-9221834-B2 Cyclic amine substituted oxazolidinone CETP inhibitor MERCK SHARP & DOHME CORP. (US) 2015-12-29 US disclosed
US-20130331372-A1 Cyclic Amine Substituted Oxazolidinone CETP Inhibitor MERCK SHARP & DOHME CORP. 2013-12-12 US disclosed
EP-2632269-A1 CYCLIC AMINE SUBSTITUTED OXAZOLIDINONE CETP INHIBITOR Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
WO-2012058187-A1 CYCLIC AMINE SUBSTITUTED OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME CORP. (US) 2012-05-03 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-20130331372-A1 Cyclic Amine Substituted Oxazolidinone CETP Inhibitor CETP, APOB, MTTP LDHA 3831/4885SLC6A4 4038/4885MMP1 3133/4885
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF F7, F11, HABP2 LDHA 2069/4885SLC6A4 1640/4885MMP1 955/4885

“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.