SCHEMBL14660239

SCHEMBL14660239

CCCCC(C=O)/C=C/C(C=O)CCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TRPA1 O75762 1/20 0.39
DDAH1 O94760 1/20 0.39
GAPDH P04406 1/20 0.39
MAPT P10636 1/20 0.39
DNM1 Q05193 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
FDPS P14324 1/20 0.36
ADH1B P00325 2/20 0.35
ADH1C P00326 2/20 0.35
ADH1A P07327 2/20 0.35
ADH7 P40394 2/20 0.35
ADH4 P08319 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
CTSK P43235 3/20 0.35
CA2 P00918 2/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL14660240 1.00 TSHR (0.52) TSHRSMN1; SMN2TRPA1DDAH1GAPDH
SCHEMBL14010386 0.89
SCHEMBL27618199 0.81 MAPT (0.42) TSHRSMN1; SMN2TRPA1DDAH1GAPDH
SCHEMBL3463522 0.81 TSHR (0.48) TSHRSMN1; SMN2TRPA1DDAH1GAPDH
SCHEMBL875561 0.80
SCHEMBL10432807 0.79 ADH1B (0.50) TSHRSMN1; SMN2TRPA1DDAH1GAPDH
SCHEMBL17509727 0.79 ADH1B (0.50) TSHRSMN1; SMN2TRPA1DDAH1GAPDH
SCHEMBL9576172 0.79 ADH1B (0.50) TSHRSMN1; SMN2TRPA1DDAH1GAPDH
SCHEMBL28582956 0.79 ADH1B (0.50) TSHRSMN1; SMN2TRPA1DDAH1GAPDH
SCHEMBL7104793 0.79 ADH1B (0.50) TSHRSMN1; SMN2TRPA1DDAH1GAPDH

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
EP-2559720-A1 CROSSLINKED COMPOSITION Daicel Corporation (JP) 2013-02-20 EP disclosed
US-20130026458-A1 CROSSLINKABLE COMPOSITION DAICEL CORPORATION (JP) 2013-01-31 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-20130026458-A1 CROSSLINKABLE COMPOSITION DDC, ODC1, SRM TSHR 4686/4885SMN1; SMN2 2545/4885TRPA1 11/4885

“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.