SCHEMBL1815209

SCHEMBL1815209

CCCC(C)/C=C\C(O)C[C]=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 2/20 0.33
TRPA1 O75762 1/20 0.33
DDAH1 O94760 1/20 0.33
MAPT P10636 1/20 0.33
ACHE P22303 1/20 0.31
BACE1 P56817 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 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
SCHEMBL1813769 0.77
SCHEMBL16167304 0.76 TSHR (0.38) GAPDHTRPA1DDAH1MAPTTSHR
SCHEMBL16167303 0.76 TSHR (0.38) GAPDHTRPA1DDAH1MAPTTSHR
SCHEMBL1815210 0.75 GAPDH (0.37) GAPDHTRPA1DDAH1MAPTACHE
SCHEMBL1659272 0.75 TSHR (0.36) GAPDHTRPA1DDAH1MAPTACHE
SCHEMBL1659273 0.75 TSHR (0.36) GAPDHTRPA1DDAH1MAPTACHE
SCHEMBL7348538 0.74
SCHEMBL7348544 0.74
SCHEMBL18726686 0.71 TSHR (0.33) GAPDHTRPA1DDAH1MAPTTSHR
SCHEMBL1818519 0.71 TSHR (0.33) GAPDHTRPA1DDAH1MAPTTSHR

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.