SCHEMBL21628099

SCHEMBL21628099

CCCCC(O)C=O.CCCCCCC(O)C=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.59
DDAH1 O94760 1/20 0.59
GAPDH P04406 1/20 0.59
MAPT P10636 1/20 0.59
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 1/20 0.48
GPR84 Q9NQS5 8/20 0.48
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADH1B P00325 1/20 0.45
ADH1C P00326 1/20 0.45
ADH1A P07327 1/20 0.45
ADH4 P08319 1/20 0.45
ADH7 P40394 1/20 0.45
CA2 P00918 1/20 0.45
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL7612717 0.98 TRPA1 (0.61) TRPA1DDAH1GAPDHMAPTFFAR1
SCHEMBL4425883 0.98 TRPA1 (0.61) TRPA1DDAH1GAPDHMAPTFFAR1
SCHEMBL5181161 0.98 TRPA1 (0.61) TRPA1DDAH1GAPDHMAPTFFAR1
SCHEMBL7607320 0.98 TRPA1 (0.61) TRPA1DDAH1GAPDHMAPTFFAR1
SCHEMBL4424265 0.98 TRPA1 (0.61) TRPA1DDAH1GAPDHMAPTFFAR1
SCHEMBL23037444 0.98 TRPA1 (0.61) TRPA1DDAH1GAPDHMAPTFFAR1
SCHEMBL3186133 0.98 TRPA1 (0.61) TRPA1DDAH1GAPDHMAPTFFAR1
SCHEMBL4424172 0.98 TRPA1 (0.61) TRPA1DDAH1GAPDHMAPTFFAR1
SCHEMBL5181360 0.98 TRPA1 (0.61) TRPA1DDAH1GAPDHMAPTFFAR1
SCHEMBL3191386 0.98 TRPA1 (0.61) TRPA1DDAH1GAPDHMAPTFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200030213-A1 METHODS, COMPOSITIONS AND USES RELATING THERETO INNOSPEC LIMITED (GB) 2020-01-30 US claimed

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-20200030213-A1 METHODS, COMPOSITIONS AND USES RELATING THERETO LPO, CA7, AOX1 TRPA1 1502/4885DDAH1 798/4885GAPDH 39/4885

“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.