SCHEMBL4693346

SCHEMBL4693346

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.56
▸ NR1H4 Q96RI1 1/20 0.54
▸ MMP13 P45452 2/20 0.53
▸ MMP2 P08253 1/20 0.53
▸ MMP14 P50281 1/20 0.53
▸ PPARG P37231 2/20 0.51
▸ PPARA Q07869 1/20 0.51
▸ MAPT P10636 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CA9 Q16790 3/20 0.47
▸ NR1H2 P55055 2/20 0.45
▸ CHRNA7 P36544 2/20 0.45
▸ POLB P06746 1/20 0.43
▸ CHRNB2 P17787 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
SCHEMBL5025661 0.89 FAAH (0.55) FAAHMMP13MMP2MMP14MAPT
SCHEMBL4692597 0.86 FAAH (0.57) FAAHPPARGPPARAMAPTMEN1
SCHEMBL4693449 0.85 FAAH (0.59) FAAHMMP13MMP2MMP14CA9
SCHEMBL14144560 0.85 NR1H4 (0.48) FAAHNR1H4MMP13MMP2MMP14
SCHEMBL4692320 0.84 FAAH (0.58) FAAHMMP13MMP2MMP14MAPT
SCHEMBL15378572 0.84 FAAH (0.58) FAAHMMP13MMP2MMP14MAPT
SCHEMBL3603850 0.84 CHRNA7 (0.60) FAAHMMP13MMP2MMP14MAPT
SCHEMBL5023193 0.84 CHRNA7 (0.60) FAAHMMP13MMP2MMP14NPC1
SCHEMBL1779589 0.84 CA9 (0.59) FAAHMMP13MMP2MMP14MAPT
SCHEMBL4692571 0.83 PPARG (0.57) FAAHPPARGPPARAMAPTMEN1

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 274/4885NR1H4 73/4885MMP13 2206/4885

“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.

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