SCHEMBL20798489

SCHEMBL20798489

C=CC(=O)NCCOCCOCCOCCOCCOCCOCCOC(C)CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
TSHR P16473 5/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CA2 P00918 1/20 0.32
EPHX2 P34913 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PYGL P06737 1/20 0.31
TGM2 P21980 2/20 0.30
ATM Q13315 1/20 0.30
GAA P10253 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
SCHEMBL4852220 0.86 MEN1 (0.47) MEN1KMT2AZDHHC20ZDHHC2TSHR
SCHEMBL18721198 0.83 MEN1 (0.47) MEN1KMT2AZDHHC20ZDHHC2TSHR
SCHEMBL12328966 0.82 TSHR (0.52) MEN1KMT2AZDHHC20ZDHHC2TSHR
SCHEMBL4361183 0.82 TSHR (0.52) MEN1KMT2AZDHHC20ZDHHC2TSHR
SCHEMBL12328384 0.82 TSHR (0.52) MEN1KMT2AZDHHC20ZDHHC2TSHR
SCHEMBL12213321 0.82 TSHR (0.52) MEN1KMT2AZDHHC20ZDHHC2TSHR
SCHEMBL9888646 0.81 ZDHHC20 (0.41) MEN1KMT2AZDHHC20ZDHHC2TSHR
SCHEMBL10064051 0.80 TSHR (0.54) MEN1KMT2AZDHHC20ZDHHC2TSHR
SCHEMBL20459821 0.80 KMT2A (0.56) MEN1KMT2AZDHHC20ZDHHC2TSHR
SCHEMBL9293039 0.79 ZDHHC20 (0.44) MEN1KMT2AZDHHC20ZDHHC2TSHR

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-10226544-B2 Malodor counteracting compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2019-03-12 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-10226544-B2 Malodor counteracting compositions LPO, MAL2, ME1 MEN1 3353/4885KMT2A 3774/4885ZDHHC20 2100/4885

“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.