SCHEMBL16320274

SCHEMBL16320274

CCOC(=O)C(S)CC(=O)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.46
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CPB2 Q96IY4 2/20 0.37
ALOX15 P16050 2/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 2/20 0.33
TRPA1 O75762 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL16341181 0.83 SOAT1 (0.38) SOAT1ALDH1A1LMNAHSD17B10CPB2
SCHEMBL16341023 0.83 TDP1 (0.38) SOAT1TDP1HSD17B10MGAMGAA
SCHEMBL16341257 0.82 CES1 (0.38) SOAT1ALDH1A1TDP1CPB2KMT2A
SCHEMBL16341475 0.80 ALDH1A1 (0.44) SOAT1ALDH1A1TDP1LMNAHSD17B10
SCHEMBL29926915 0.80 MGAM (0.48) SOAT1ALDH1A1TDP1LMNAHSD17B10
SCHEMBL11168976 0.80 SOAT1 (0.42) SOAT1ALDH1A1LMNAHSD17B10CPB2
SCHEMBL740740 0.80 MGAM (0.48) SOAT1ALDH1A1TDP1LMNAHSD17B10
SCHEMBL19376806 0.77 SOAT1 (0.44) SOAT1ALDH1A1TDP1LMNAHSD17B10
SCHEMBL7980194 0.77
SCHEMBL1141776 0.77

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-9775371-B2 Decanoic acid derivatives and flavoring compositions T. HASEGAWA CO., LTD. (JP) 2017-10-03 US disclosed
US-20140377434-A1 NOVEL DECANOIC ACID DERIVATIVES AND FLAVORING COMPOSITIONS T. HASEGAWA CO., LTD. (JP) 2014-12-25 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-20140377434-A1 NOVEL DECANOIC ACID DERIVATIVES AND FLAVORING COMPOSITIONS TAS2R5, FFAR3, FFAR1 SOAT1 1079/4885ALDH1A1 525/4885TDP1 3279/4885

“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.