SCHEMBL334408

SCHEMBL334408

CC(=O)OC(C)c1cc(C)cc(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
PPARG P37231 1/20 0.32
ENPP2 Q13822 1/20 0.32
ATXN2 Q99700 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
MDM2 Q00987 2/20 0.31
CTSA P10619 2/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
PGR P06401 1/20 0.30
PTGS1 P23219 1/20 0.30
PDE4A P27815 1/20 0.30
KDM4E B2RXH2 1/20 0.30
BRD4 O60885 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
SCHEMBL27450327 0.89 TSHR (0.39) TSHRCNR1CNR2ENPP2ATXN2
SCHEMBL27653319 0.87 TSHR (0.41) TSHRCNR2ALDH1A1CYP3A4KDM4E
SCHEMBL28785865 0.81 GPR139 (0.35) TSHRCNR1CNR2ENPP2ATXN2
SCHEMBL334626 0.78 CYP4F2 (0.33) TSHRGRNSORT1
SCHEMBL27480876 0.76 HPGD (0.46) HPGDALOX15ALDH1A1
SCHEMBL28378961 0.74 MMP12 (0.45) ALDH1A1CYP3A4PGRPTGS1PDE4A
SCHEMBL1283491 0.74 BRD4 (0.50) TSHRHPGDALOX15ALDH1A1BRD4
SCHEMBL31607962 0.72 LMNA (0.47) TSHRALDH1A1CYP3A4
SCHEMBL13777889 0.72 LMNA (0.47) TSHRALDH1A1CYP3A4
SCHEMBL17025386 0.71 GABRA1 (0.37) TSHRMDM2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP 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-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG TSHR 189/4885CNR1 124/4885CNR2 177/4885

“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.