SCHEMBL4693449

SCHEMBL4693449

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.59
MMP13 P45452 4/20 0.56
MMP2 P08253 2/20 0.56
MMP14 P50281 2/20 0.56
CA9 Q16790 6/20 0.49
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
CA14 Q9ULX7 3/20 0.47
NR1H2 P55055 2/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
CHRNA7 P36544 2/20 0.47
AURKA O14965 1/20 0.43
MMP10 P09238 1/20 0.43
MMP9 P14780 1/20 0.43
PRKACA P17612 1/20 0.43
DRD5 P21918 1/20 0.43
MAPKAPK2 P49137 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
SCHEMBL4692320 0.88 FAAH (0.58) FAAHMMP13MMP2MMP14CA9
SCHEMBL5023193 0.88 CHRNA7 (0.60) FAAHMMP13MMP2MMP14CA9
SCHEMBL15378572 0.88 FAAH (0.58) FAAHMMP13MMP2MMP14CA9
SCHEMBL3603850 0.88 CHRNA7 (0.60) FAAHMMP13MMP2MMP14CA9
SCHEMBL1779589 0.87 CA9 (0.59) FAAHMMP13MMP2MMP14CA9
SCHEMBL4694993 0.86 FAAH (0.63) FAAHMMP13MMP2MMP14CA9
SCHEMBL20656276 0.86 FAAH (0.56) FAAHMMP13MMP2MMP14CA9
SCHEMBL4694701 0.85 FAAH (0.56) FAAHMMP13MMP2MMP14CA9
SCHEMBL4693346 0.85 FAAH (0.56) FAAHMMP13MMP2MMP14CA9
SCHEMBL5025661 0.84 FAAH (0.55) FAAHMMP13MMP2MMP14CA9

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 5 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

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.