SCHEMBL334184

SCHEMBL334184

CC(=O)OCCc1cc(Cl)cc(CBr)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.41
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
ALDH1A1 P00352 4/20 0.35
TSHR P16473 1/20 0.35
TLR8 Q9NR97 1/20 0.34
CNR1 P21554 1/20 0.34
MET P08581 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
ALOX5 P09917 2/20 0.33
ABCB1 P08183 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
RAD52 P43351 1/20 0.33

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
SCHEMBL27450326 0.88 TNKS2 (0.43) TNKS2ALDH1A1TSHRTLR8CNR1
SCHEMBL28785864 0.84 TNKS2 (0.38) TNKS2ALDH1A1TSHRTLR8CNR1
SCHEMBL1423103 0.82 TNKS2 (0.42) TNKS2ALDH1A1TSHRTLR8CNR1
SCHEMBL334409 0.82 CNR1 (0.41) TNKS2ALDH1A1TSHRTLR8CNR1
SCHEMBL13150548 0.78 TNKS2 (0.37) TNKS2ALDH1A1TSHRTLR8CNR1
SCHEMBL1421997 0.75 TNKS2 (0.36) TNKS2ALDH1A1TSHRTLR8MET
SCHEMBL13667239 0.75 MAOB (0.49) ALDH1A1CNR1SMN1; SMN2HPGD
SCHEMBL1067152 0.74 SIRT2 (0.47) ALDH1A1TSHRCNR1SMN1; SMN2SIRT2
SCHEMBL27637244 0.72 ALDH1A1 (0.44) CYP4F2CYP4A11ALDH1A1TSHRALOX5
SCHEMBL27799847 0.72 MRGPRX4 (0.50) CYP4F2CYP4A11ALDH1A1

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 TNKS2 4824/4885CYP4F2 544/4885CYP4A11 119/4885

“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.