SCHEMBL6708593

SCHEMBL6708593

CCCCCCCCC/C(C)=C/CBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
PTPN1 P18031 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39
PDE4A P27815 1/20 0.39

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
SCHEMBL6708601 1.00 FAAH (0.41) FAAHCES2CES1GPR84PPARG
SCHEMBL11866788 0.98 CES2 (0.39) FAAHCES2CES1GPR84PPARG
SCHEMBL11866782 0.98 CES2 (0.39) FAAHCES2CES1GPR84PPARG
SCHEMBL5656297 0.91
SCHEMBL5656303 0.91
SCHEMBL26092540 0.83 FAAH (0.43) FAAHCES2CES1PPARGPPARD
SCHEMBL11733389 0.83 SQLE (0.47) ALDH1A1MEN1ALOX15KMT2ALSS
SCHEMBL26092305 0.83 FAAH (0.43) FAAHCES2CES1PPARGPPARD
SCHEMBL6709787 0.83 FAAH (0.43) FAAHCES2CES1PPARGPPARD
SCHEMBL6709784 0.83 FAAH (0.43) FAAHCES2CES1PPARGPPARD

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-6835846-B2 The present invention provides an aliphatic compound represented by the following formula (I) or pharmacologically acceptable salts thereof: the aliphatic compound being an optical isomer of the (2R,3S,2'S) configuration when the MARUHA CORPORATION (JP) 2004-12-28 US disclosed
US-20040014816-A1 Novel aliphatic compounds, process for their preparation and their usage MARUHA NICHIRO SEAFOODS, INC. (JP) 2004-01-22 US disclosed
EP-1325904-A1 NOVEL ALIPHATIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USAGE Maruha Corporation (JP) 2003-07-09 EP 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-20040014816-A1 Novel aliphatic compounds, process for their preparation and their usage CPT1B, ACSS2, CERS2 FAAH 1930/4885CES2 2213/4885CES1 349/4885

“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.