SCHEMBL12845865

SCHEMBL12845865

CCOP(=O)(C/C=C/C=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
TRPA1 O75762 1/20 0.42
PPARD Q03181 2/20 0.40
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL1679837 0.84 TSHR (0.57) TSHRPPARDTP53TDP1MEN1
SCHEMBL1679770 0.84 TSHR (0.57) TSHRPPARDTP53TDP1MEN1
SCHEMBL16681891 0.84 TSHR (0.57) TSHRPPARDTP53TDP1MEN1
SCHEMBL11341590 0.77 TSHR (0.50) TSHRPPARDTP53TDP1MEN1
SCHEMBL4609885 0.77 TSHR (0.50) TSHRPPARDTP53TDP1MEN1
SCHEMBL20490115 0.77 TSHR (0.50) TSHRPPARDTP53TDP1MEN1
SCHEMBL1378158 0.77 TSHR (0.55) TSHRPPARDTP53TDP1MEN1
SCHEMBL874362 0.76 TSHR (0.48) TSHRPPARDTP53TDP1MEN1
SCHEMBL11443334 0.76 TSHR (0.48) TSHRPPARDTP53TDP1MEN1
SCHEMBL9208492 0.74 TSHR (0.46) TSHRPPARDTP53TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324427-B2 Substances analogous to MK8383 and agricultural and horticultural disease control agents MEIJI SEIKA KAISHA, LTD. (JP) 2012-12-04 US disclosed
US-20110065792-A1 NOVEL SUBSTANCES ANALOGOUS TO MK8383 AND AGRICULTURAL AND HORTICULTURAL DISEASE CONTROL AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2011-03-17 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-20110065792-A1 NOVEL SUBSTANCES ANALOGOUS TO MK8383 AND AGRICULTURAL AND HORTICULTURAL DISEASE CONTROL AGENTS TSG101, PPME1, DDT TSHR 4148/4885TRPA1 1406/4885PPARD 4007/4885

“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.