SCHEMBL5696482

SCHEMBL5696482

C=CCNC(COC(=O)C(=C)C)(NCC=C)NCC=C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.38
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL2939730 0.80 THRB (0.44) TSHRALDH1A1THRB
Hydrochloric Acid SCHEMBL1237638 0.79 THRB (0.43) TSHRALDH1A1THRB
SCHEMBL10917355 0.78 TSHR (0.38) TSHRALDH1A1THRB
SCHEMBL5696399 0.77 ALDH1A1 (0.50) TSHRALDH1A1THRBMAPK1KMT2A
SCHEMBL676411 0.76 TSHR (0.45) TSHRALDH1A1THRB
Hydrochloric Acid SCHEMBL248062 0.74 TSHR (0.44) TSHRALDH1A1THRB
SCHEMBL28483224 0.74 ALDH1A1 (0.54) TSHRALDH1A1THRBMAPK1
SCHEMBL4945281 0.71 TSHR (0.41) TSHRALDH1A1THRBMAPK1KMT2A
SCHEMBL4148574 0.71 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL6556547 0.71 TSHR (0.41) TSHRALDH1A1THRB

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 3715/4885THRB 4236/4885

“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.