SCHEMBL5696479

SCHEMBL5696479

C=CCC(N)C(CC=C)(CC=C)OC(=O)C(=C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.31
GRIK1 P39086 2/20 0.30
GRIK2 Q13002 2/20 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
SCHEMBL5696398 0.79 GRIK1 (0.36) TSHRALDH1A1GRIK1GRIK2
SCHEMBL16553409 0.76 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL27820986 0.73 ALDH1A1 (0.34) TSHRALDH1A1
SCHEMBL2939728 0.71 TSHR (0.37) TSHRALDH1A1
SCHEMBL28357452 0.71 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL3675285 0.71 ALDH1A1 (0.38) TSHRALDH1A1
SCHEMBL3195147 0.70 ALDH1A1 (0.34) TSHRALDH1A1
SCHEMBL4415293 0.69 TSHR (0.35) TSHRALDH1A1
SCHEMBL2143318 0.68 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL2641113 0.68 ALDH1A1 (0.35) TSHRALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116867885-A Improvements in or relating to organic compounds 奇华顿股份有限公司 2023-10-10 CN disclosed
CN-115297822-A Consumer product comprising a plurality of microcapsules defined by an average total surface area 奇华顿股份有限公司 2022-11-04 CN disclosed
EP-1663139-A1 CONDITIONING COMPOSITION COMPRISING CATIONIC CROSSLINKED THICKENING POLYMER AND NONIONIC SURFACTANT THE PROCTER & GAMBLE COMPANY (US) 2006-06-07 EP disclosed
US-20050002892-A1 Conditioning composition comprising cationic crosslinked thickening polymer and nonionic surfactant THE PROCTER & GAMBLE COMPANY 2005-01-06 US disclosed
WO-2004108101-A1 CONDITIONING COMPOSITION COMPRISING CATIONIC CROSSLINKED THICKENING POLYMER AND NONIONIC SURFACTANT THE PROCTER & GAMBLE COMPANY (US) 2004-12-16 WO disclosed
WO-2004035016-A1 CONDITIONING COMPOSITION COMPRISING CATIONIC CROSSLINKED POLYMER THE PROCTER & GAMBLE COMPANY (US) 2004-04-29 WO 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-20050002892-A1 Conditioning composition comprising cationic crosslinked thickening polymer and nonionic surfactant CUTA, PCNA, DSG1 TSHR 4428/4885ALDH1A1 3715/4885GRIK1 924/4885

“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.