SCHEMBL16713328

SCHEMBL16713328

CC(C)(C)OC(=O)c1ccccc1-c1ccc(Cn2cnc3cc(C(=O)O)ccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 2/20 0.51
▸ PPARG P37231 6/20 0.47
▸ ACHE P22303 1/20 0.43
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL16713349 0.93 NR1H4 (0.51) NR1H4PPARGACHECYP11B1CYP11B2
SCHEMBL16713333 0.92 BRD4 (0.49) NR1H4PPARGACHEHDAC1HDAC6
SCHEMBL8393383 0.87 CYP11B1 (0.54) NR1H4PPARGACHECYP11B1CYP11B2
SCHEMBL16713344 0.85 PPARG (0.69) PPARG
SCHEMBL16713329 0.85 PPARG (0.49) PPARG
SCHEMBL16713343 0.84 BRD4 (0.53) NR1H4ACHEHDAC1HDAC6ALDH1A1
SCHEMBL28552677 0.83 HCAR3 (0.62) PPARGACHE
SCHEMBL14120788 0.83 PPARG (0.58) PPARGACHEHDAC1HDAC6
SCHEMBL14120280 0.81 PPARG (0.59) PPARGHDAC1HDAC6
SCHEMBL14977445 0.80 PPARG (0.47) PPARGACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309227-B2 N-biphenylmethylbenzimidazole modulators of PPARG THE SCRIPPS RESEARCH INSTITUTE (US) 2016-04-12 — — US disclosed
US-9309227-B2 N-biphenylmethylbenzimidazole modulators of PPARG THE SCRIPPS RESEARCH INSTITUTE (US) 2016-04-12 — — US disclosed
US-9309227-B2 N-biphenylmethylbenzimidazole modulators of PPARG THE SCRIPPS RESEARCH INSTITUTE (US) 2016-04-12 — — US disclosed
US-20150141464-A1 N-BIPHENYLMETHYLBENZIMIDAZOLE MODULATORS OF PPARG SCRIPPS RESEARCH INSTITUTE, THE 2015-05-21 — — US disclosed
US-20150141464-A1 N-BIPHENYLMETHYLBENZIMIDAZOLE MODULATORS OF PPARG SCRIPPS RESEARCH INSTITUTE, THE 2015-05-21 — — US disclosed
US-20150141464-A1 N-BIPHENYLMETHYLBENZIMIDAZOLE MODULATORS OF PPARG SCRIPPS RESEARCH INSTITUTE, THE 2015-05-21 — — 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-20150141464-A1 N-BIPHENYLMETHYLBENZIMIDAZOLE MODULATORS OF PPARG CDK5, PPARG, CDK5R1 NR1H4 211/4885PPARG 2/4885ACHE 3021/4885

“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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