SCHEMBL16657272

SCHEMBL16657272

CCCCCC(/C=C/C=C\C(=O)OCC)C(C)CC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
HCAR2 Q8TDS4 4/20 0.37
ATM Q13315 1/20 0.37
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.35
OXER1 Q8TDS5 1/20 0.34
SMPD1 P17405 3/20 0.33
ACE2 Q9BYF1 1/20 0.33
TRPA1 O75762 1/20 0.33
DDAH1 O94760 1/20 0.33
GAPDH P04406 1/20 0.33
GPR84 Q9NQS5 3/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL30914726 0.78 ACHE (0.43) ACHEBACE1HCAR2ATMMAPT
SCHEMBL7870030 0.77 ACHE (0.56) ACHEBACE1MAPTOXER1TRPA1
SCHEMBL7870031 0.77 ACHE (0.56) ACHEBACE1MAPTOXER1TRPA1
SCHEMBL16656923 0.75 ACHE (0.37) ACHEBACE1HCAR2ATMTSHR
SCHEMBL17828265 0.74 HCAR2 (0.52) HCAR2ATMTSHRMAPT
SCHEMBL34468187 0.72 HCAR2 (0.46) HCAR2ATMMAPT
SCHEMBL22627138 0.72 HCAR2 (0.46) HCAR2ATMTSHRMAPTTRPA1
SCHEMBL22465645 0.72 HCAR2 (0.46) HCAR2ATMTSHRMAPTTRPA1
SCHEMBL7017427 0.71 MAPT (0.53) TSHRMAPT
SCHEMBL18723218 0.71 HCAR2 (0.45) HCAR2ATMMAPTGPR84ZDHHC7

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-9102650-B2 Synthesis of new anti-inflammatory compound XU YONG (US) 2015-08-11 US disclosed
US-20150112087-A1 Synthesis of New Anti-Inflammatory Compound XU YONG (US) 2015-04-23 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 (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-20150112087-A1 Synthesis of New Anti-Inflammatory Compound TNF, PTGES2, RELA ACHE 245/4885BACE1 1007/4885HCAR2 516/4885

“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.