SCHEMBL3547323

SCHEMBL3547323

O=C(O)/C=C1\CC[C@H](c2ccc(Br)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
ESR2 Q92731 3/20 0.39
CAMK2A Q9UQM7 1/20 0.36
HCAR2 Q8TDS4 1/20 0.34
MAP1LC3B Q9GZQ8 1/20 0.34
FPR2 P25090 1/20 0.33
HDAC4 P56524 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
USP5 P45974 1/20 0.32
LMNA P02545 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL3547327 1.00 BRD4 (0.40) BRD4ESR2CAMK2AHCAR2MAP1LC3B
SCHEMBL3547399 1.00 BRD4 (0.40) BRD4ESR2CAMK2AHCAR2MAP1LC3B
SCHEMBL3547397 1.00 BRD4 (0.40) BRD4ESR2CAMK2AHCAR2MAP1LC3B
SCHEMBL3544910 0.84 ESR2 (0.39) ESR2HCAR2GAAMAPTHTT
SCHEMBL3547925 0.84 ESR2 (0.39) ESR2HCAR2GAAMAPTHTT
SCHEMBL3544911 0.84 ESR2 (0.39) ESR2HCAR2GAAMAPTHTT
SCHEMBL3547927 0.84 ESR2 (0.39) ESR2HCAR2GAAMAPTHTT
SCHEMBL13009594 0.79 ESR2 (0.67) BRD4ESR2MAP1LC3BFPR2ALDH1A1
SCHEMBL13009586 0.79 ESR2 (0.67) BRD4ESR2MAP1LC3BFPR2ALDH1A1
SCHEMBL13169133 0.79 ESR2 (0.67) BRD4ESR2MAP1LC3BFPR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 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 (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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 BRD4 1194/4885ESR2 2111/4885CAMK2A 3977/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 BRD4 1199/4885ESR2 2062/4885CAMK2A 3819/4885

“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.