SCHEMBL13154151

SCHEMBL13154151

CC(=O)c1c(C)cccc1CBr

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
MAOB P27338 2/20 0.39
IAPP P10997 1/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.35
BRPF1 P55201 1/20 0.35
CTBP2 P56545 1/20 0.35
GPR52 Q9Y2T5 1/20 0.35
PKM P14618 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 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
SCHEMBL2325202 0.85 GPR52 (0.38) LMNATSHRSMN1; SMN2TDP1L3MBTL1
SCHEMBL5693066 0.85 L3MBTL1 (0.47) TDP1L3MBTL1PTGS2ALDH1A1HPGD
SCHEMBL13105884 0.84 GABRA1 (0.46) THRBMAOBLMNATSHRSMN1; SMN2
SCHEMBL2876253 0.80 CA12 (0.48) LMNATSHRSMN1; SMN2TDP1L3MBTL1
SCHEMBL27733110 0.80 ALDH1A1 (0.34) LMNATSHRTDP1L3MBTL1PTGS2
SCHEMBL4830107 0.80 L3MBTL1 (0.37) LMNATSHRTDP1L3MBTL1PTGS2
SCHEMBL28360772 0.80 CA12 (0.37) THRBMAOBLMNATSHRTDP1
SCHEMBL27453547 0.79 ALDH1A1 (0.45) THRBMAOBIAPPLMNASMN1; SMN2
SCHEMBL5693160 0.79 CA12 (0.56) LMNATSHRSMN1; SMN2TDP1ALDH1A1
SCHEMBL696352 0.79 THRB (0.56) THRBLMNATSHRSMN1; SMN2TDP1

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-7803950-B2 Method for the production of diarylcycloalkyl derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-09-28 US disclosed
US-20080051583-A1 NOVEL INTERMEDIATE COMPOUNDS USEFUL IN THE PRODUCTION OF DIARYLCYCLOALKYL DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-02-28 US disclosed
US-20070197614-A1 METHOD FOR THE PRODUCTION OF DIARYLCYCLOALKYL DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 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-20080051583-A1 NOVEL INTERMEDIATE COMPOUNDS USEFUL IN THE PRODUCTION OF DIARYLCYCLOALKYL DERIVATIVES PPARG, PPARD, PPARA THRB 1836/4885MAOB 624/4885IAPP 1042/4885
US-20070197614-A1 METHOD FOR THE PRODUCTION OF DIARYLCYCLOALKYL DERIVATIVES PPARA, PPARD, PPARG THRB 987/4885MAOB 573/4885IAPP 1300/4885

“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.