SCHEMBL3069062

SCHEMBL3069062

COC(=O)C(C)(C)Oc1cc(C)c(OCCCBr)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
PPARA Q07869 3/20 0.37
TSHR P16473 2/20 0.37
TTR P02766 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C8 P10632 1/20 0.37
CHRM1 P11229 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRA1A P35348 1/20 0.37
PPARG P37231 1/20 0.37
HTR2B P41595 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CISD1 Q9NZ45 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 6/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2904561 0.96 RAB9A (0.43) RAB9APPARATSHRTTRCYP1A2
SCHEMBL2907451 0.93 RAB9A (0.39) RAB9APPARATSHRTTRCYP1A2
SCHEMBL14534056 0.87 RAB9A (0.39) RAB9APPARATSHRTTRCYP1A2
SCHEMBL2906316 0.86 PPARA (0.45) RAB9APPARATSHRTTRCYP1A2
SCHEMBL2905719 0.81 PTGS2 (0.36) RAB9ALMNAHTTTP53FBP1
SCHEMBL2906170 0.80 PPARA (0.38) RAB9APPARATSHRTTRCYP1A2
SCHEMBL2903244 0.77 FBP1 (0.32) RAB9APPARASMN1; SMN2LMNAHTT
SCHEMBL2906168 0.77 PPARD (0.42) RAB9APPARAPPARGSMN1; SMN2FBP1
SCHEMBL26834272 0.76 TSHR (0.39) RAB9APPARATSHRTTRCYP1A2
SCHEMBL2908470 0.76 CNR1 (0.36) RAB9APPARATSHRCYP1A2CYP2C9

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-20100048453-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2010-02-25 US disclosed
US-20100048453-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2010-02-25 US disclosed
US-20100048453-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2010-02-25 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 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 (2 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-20100048453-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR PPARD, PPARG, PPARA RAB9A 4182/4885PPARA 3/4885TSHR 343/4885
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARA, PPARD RAB9A 3045/4885PPARA 2/4885TSHR 587/4885

“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.