SCHEMBL16508677

SCHEMBL16508677

CCC(O)C(C)/C=C(\C)C(C)=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
KISS1R Q969F8 2/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL13052959 0.76 KISS1R (0.31) KISS1R
SCHEMBL1784419 0.75 GAPDH (0.39) TSHRKISS1R
SCHEMBL8214063 0.75 ALDH1A1 (0.31) TSHR
SCHEMBL1784421 0.75 GAPDH (0.39) TSHRKISS1R
SCHEMBL8214068 0.75 ALDH1A1 (0.31) TSHR
SCHEMBL1784697 0.74 PTPN1 (0.49) TSHRTRPA1
SCHEMBL1784698 0.74 PTPN1 (0.49) TSHRTRPA1
SCHEMBL1782702 0.74 TSHR (0.32) TSHRKISS1R
SCHEMBL1782701 0.74 TSHR (0.32) TSHRKISS1R
SCHEMBL14210117 0.74 TSHR (0.32) TSHR

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-20110295023-A1 DNA ENCODING POLYPEPTIDE INVOLVED IN BIOSYNTHESIS OF HERBOXIDIENE MERCIAN CORPORATION (JP) 2011-12-01 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-20110295023-A1 DNA ENCODING POLYPEPTIDE INVOLVED IN BIOSYNTHESIS OF HERBOXIDIENE HPGD, DNAJC10, HSD17B4 TSHR 2577/4885KISS1R 3468/4885TRPA1 2071/4885

“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.