SCHEMBL3004063

SCHEMBL3004063

CC=CC=CC=CC(=O)CCC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.45
KDM4E B2RXH2 1/20 0.40
IAPP P10997 2/20 0.38
OXER1 Q8TDS5 6/20 0.37
ALOX12 P18054 2/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36
FFAR3 O14843 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX5 P09917 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
SCHEMBL3004060 1.00 TRPA1 (0.45) TRPA1KDM4EIAPPOXER1ALOX12
SCHEMBL3007779 1.00 TRPA1 (0.45) TRPA1KDM4EIAPPOXER1ALOX12
SCHEMBL19743405 0.84 TRPA1 (0.59) TRPA1KDM4EIAPPOXER1ALOX12
SCHEMBL430423 0.84 TRPA1 (0.63) TRPA1KDM4EOXER1ALOX12CES2
SCHEMBL430424 0.84 TRPA1 (0.63) TRPA1KDM4EOXER1ALOX12CES2
SCHEMBL13611745 0.81 ALDH1A1 (0.40) TRPA1KDM4EIAPPOXER1CNR1
SCHEMBL13611712 0.81 ALDH1A1 (0.40) TRPA1KDM4EIAPPOXER1CNR1
SCHEMBL7747547 0.81 TRPA1 (0.39) TRPA1KDM4EOXER1ALOX12CNR1
SCHEMBL13953154 0.81 ALDH1A1 (0.40) TRPA1KDM4EIAPPOXER1CNR1
SCHEMBL6941507 0.81 KDM4E (0.51) TRPA1KDM4EOXER1ALOX12CNR1

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-20100191019-A1 Organic Compounds GIVAUDAN SA (CH) 2010-07-29 US disclosed
EP-2178399-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-04-28 EP disclosed
WO-2009009916-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2009-01-22 WO 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-20100191019-A1 Organic Compounds OR10J3, ALOX5, OR51E2 TRPA1 6/4885KDM4E 4306/4885IAPP 3287/4885

“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.