SCHEMBL16320273

SCHEMBL16320273

CCSC(=O)C(C)(O)C(=O)CC

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL16341180 0.83 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1KDM4ESMN1; SMN2
SCHEMBL16341255 0.79 FAAH (0.39) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL16341474 0.79 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1KDM4ESMN1; SMN2
SCHEMBL16341021 0.79
SCHEMBL3865966 0.72
SCHEMBL2864735 0.70 TDP1 (0.40) ALDH1A1TSHR
SCHEMBL343124 0.70
SCHEMBL14370458 0.70 ALDH1A1 (0.45) ALDH1A1TSHR
SCHEMBL11671380 0.69 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1KDM4ESMN1; SMN2
Hydrogen Sulfide SCHEMBL28099743 0.69 ALDH1A1 (0.43) ALDH1A1TSHR

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 ALDH1A1 525/4885TSHR 2436/4885MAPK1 2224/4885

“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.