SCHEMBL4694701

SCHEMBL4694701

CCOC(=O)c1cc(-c2ccc(C(C)C)cc2)n(C)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.56
MMP13 P45452 2/20 0.53
MMP2 P08253 1/20 0.53
MMP14 P50281 1/20 0.53
NR1H2 P55055 2/20 0.50
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
PHGDH O43175 1/20 0.48
CHRNA7 P36544 2/20 0.47
CA9 Q16790 3/20 0.47
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
BCL2 P10415 1/20 0.44
MDM2 Q00987 1/20 0.44
MCL1 Q07820 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL5023193 0.87 CHRNA7 (0.60) FAAHMMP13MMP2MMP14NR1H2
SCHEMBL15378572 0.87 FAAH (0.58) FAAHMMP13MMP2MMP14NR1H2
SCHEMBL4693449 0.85 FAAH (0.59) FAAHMMP13MMP2MMP14NR1H2
SCHEMBL4689532 0.85 FAAH (0.54) FAAHMMP13MMP2MMP14NR1H2
SCHEMBL2560179 0.85 MMP13 (0.55) FAAHMMP13MMP2MMP14NR1H2
SCHEMBL4692320 0.84 FAAH (0.58) FAAHMMP13MMP2MMP14NR1H2
SCHEMBL3603850 0.84 CHRNA7 (0.60) FAAHMMP13MMP2MMP14NR1H2
SCHEMBL1779589 0.84 CA9 (0.59) FAAHMMP13MMP2MMP14NR1H2
SCHEMBL4694993 0.83 FAAH (0.63) FAAHMMP13MMP2MMP14CA9
SCHEMBL20656276 0.83 FAAH (0.56) FAAHMMP13MMP2MMP14NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
EP-1685113-A1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-08-02 EP disclosed
WO-2005049578-A1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-06-02 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-20080021030-A1 Substituted Pyrazoles As Ppar Agonists PPARD, PPARA, PPARG FAAH 274/4885MMP13 2206/4885MMP2 3793/4885

“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.