SCHEMBL1815210

SCHEMBL1815210

CCCC(C)/C=C\C(O)CC=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 2/20 0.37
TRPA1 O75762 1/20 0.37
DDAH1 O94760 1/20 0.37
MAPT P10636 1/20 0.37
LTB4R Q15722 2/20 0.31
ACHE P22303 1/20 0.31
BACE1 P56817 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
FPR2 P25090 1/20 0.30
TSHR P16473 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
SCHEMBL31538290 0.85 TRPA1 (0.32) GAPDHTRPA1DDAH1MAPTLTB4R
SCHEMBL1829186 0.78 GAPDH (0.36) GAPDHTRPA1DDAH1MAPTLTB4R
SCHEMBL1813771 0.77 GAPDH (0.31) GAPDH
SCHEMBL16167303 0.76 TSHR (0.38) GAPDHTRPA1DDAH1MAPTTSHR
SCHEMBL16167304 0.76 TSHR (0.38) GAPDHTRPA1DDAH1MAPTTSHR
SCHEMBL1815209 0.75 GAPDH (0.33) GAPDHTRPA1DDAH1MAPTACHE
SCHEMBL1659273 0.75 TSHR (0.36) GAPDHTRPA1DDAH1MAPTACHE
SCHEMBL1659272 0.75 TSHR (0.36) GAPDHTRPA1DDAH1MAPTACHE
SCHEMBL31538319 0.72 TSHR (0.40) GAPDHTRPA1DDAH1MAPTLTB4R
SCHEMBL1785949 0.71 ALDH1A1 (0.32) ALDH1A1

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-20110105409-A1 Anticancer Compounds PHARMA MAR, S.A. (ES) 2011-05-05 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-20110105409-A1 Anticancer Compounds MCL1, TP53, BCL2A1 GAPDH 685/4885TRPA1 3717/4885DDAH1 1760/4885

“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.