SCHEMBL1717831

SCHEMBL1717831

CC1=C(CCC(C)CCCC(C)CC(=O)O)C(C)(C)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.41
PTPN1 P18031 2/20 0.34
POLB P06746 1/20 0.34
PSEN1 P49768 2/20 0.32
NR1I2 O75469 2/20 0.32
ALOX5 P09917 2/20 0.32
GSTO1 P78417 1/20 0.31
BHMT Q93088 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
GLRA3 O75311 1/20 0.30

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
SCHEMBL16389607 0.88 TRPA1 (0.41) TRPA1PTPN1
SCHEMBL13781115 0.81 TRPA1 (0.39) TRPA1PTPN1
SCHEMBL3414622 0.81 RARB (0.41) TRPA1
SCHEMBL16389608 0.80 TRPA1 (0.37) TRPA1PTPN1
SCHEMBL13781114 0.78 TRPA1 (0.42) TRPA1
SCHEMBL3411784 0.78 POLB (0.36) PTPN1POLBPSEN1BHMTFNTA
SCHEMBL11375248 0.77 TRPA1 (0.46) TRPA1
SCHEMBL30838860 0.76 TRPA1 (0.44) TRPA1PTPN1
SCHEMBL8776387 0.75 RARB (0.44) TRPA1
SCHEMBL25274021 0.73 TRPA1 (0.41) TRPA1PTPN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420610-B2 Polyunsaturated compounds, method for preparing same and compositions containing the same PIERRE FABRE DERMO-COSMETIQUE (FR) 2013-04-16 US claimed
EP-1968993-B1 NOVEL POLYUNSATURATED COMPOUNDS, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME FABRE PIERRE DERMO COSMETIQUE (FR) 2012-01-11 EP claimed
US-20100168045-A1 Novel Polyunsaturated Compounds, Method for Preparing Same and Compositions Containing the Same PIERRE FABRE DERMO-COSMETIQUE (FR) 2010-07-01 US claimed
US-8420610-B2 Polyunsaturated compounds, method for preparing same and compositions containing the same PIERRE FABRE DERMO-COSMETIQUE (FR) 2013-04-16 US disclosed
US-20100168045-A1 Novel Polyunsaturated Compounds, Method for Preparing Same and Compositions Containing the Same PIERRE FABRE DERMO-COSMETIQUE (FR) 2010-07-01 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-20100168045-A1 Novel Polyunsaturated Compounds, Method for Preparing Same and Compositions Containing the Same CBR3, CBR1, DECR1 TRPA1 2826/4885PTPN1 4497/4885POLB 1745/4885

“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.