SCHEMBL3475405

SCHEMBL3475405

CC(=O)C(Cc1ccc(Cl)cc1)c1cc(Cl)cc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
BRD4 O60885 1/20 0.38
ACACB O00763 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A4 P31645 1/20 0.35
TP53 P04637 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GPR139 Q6DWJ6 1/20 0.34
PTPN1 P18031 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL3476279 0.88 ESR1 (0.46) ESR1ESR2PPARGPPARABRD4
SCHEMBL3475310 0.84 ESR1 (0.48) ESR1ESR2CNR2
SCHEMBL18165316 0.84 ESR1 (0.61) ESR1ESR2PPARGPPARABRD4
SCHEMBL18481327 0.84 ESR1 (0.61) ESR1ESR2PPARGPPARABRD4
SCHEMBL3371208 0.77 ESR1 (0.60) ESR1ESR2PPARGPPARACYP2C9
SCHEMBL3374169 0.74 ESR1 (0.51) ESR1ESR2PPARGPPARABRD4
SCHEMBL8622410 0.72 ESR1 (0.58) ESR1ESR2PPARGPPARACYP2C9
SCHEMBL3475249 0.71 PPARA (0.47) PPARGPPARAKMT2AMEN1
SCHEMBL3773871 0.70 SLC6A2 (0.52) ESR1ESR2PPARGPPARABRD4
SCHEMBL3578785 0.70 CNR1 (0.57) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754188-B2 Radiolabeled cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-07-13 US disclosed
US-20060115425-A1 Substituted amides MERCK SHARP & DOHME CORP. 2006-06-01 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-20060115425-A1 Substituted amides CNR1, CNR2, FAAH ESR1 1311/4885ESR2 1104/4885PPARG 172/4885

“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.