SCHEMBL5404500

SCHEMBL5404500

C=C(C#N)C(=O)OCCF

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
TSHR P16473 1/20 0.59
THRB P10828 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
SCHEMBL4579700 0.87 TSHR (0.68) ALDH1A1TSHRTHRB
SCHEMBL6288807 0.85 TSHR (0.61) ALDH1A1TSHRTHRB
SCHEMBL31476926 0.83 ALDH1A1 (0.59) ALDH1A1TSHRTHRB
Ethylene SCHEMBL8420922 0.83 TSHR (0.59) ALDH1A1TSHRTHRB
SCHEMBL4578754 0.83 TSHR (0.63) ALDH1A1TSHRTHRB
SCHEMBL18315246 0.83
SCHEMBL4580407 0.83 TSHR (0.63) ALDH1A1TSHRTHRB
SCHEMBL11799311 0.82 TSHR (0.57) ALDH1A1TSHR
SCHEMBL4581421 0.81 TSHR (0.61) ALDH1A1TSHRTHRB
SCHEMBL1982870 0.81 TSHR (0.61) ALDH1A1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080038218-A1 Cosmetic composition comprising at least one electrophilic monomer, at least one fluoro compound and at least one liquid organic solvent L'OREAL S.A. (FR) 2008-02-14 US disclosed
WO-2007118812-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN ELECTROPHILIC MONOMER, A HYDROPHOBIC DIRECT DYE AND A LIQUID ORGANIC SOLVENT L'ORÉAL (FR) 2007-10-25 WO disclosed
EP-0105062-B1 COLOURED CYANOACRYLATE ADHESIVE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-09-04 EP disclosed
EP-0105062-A1 Coloured cyanoacrylate adhesive composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-04-11 EP disclosed
US-4405750-A FLUORESCENT COLOR SOLVENT GREEN OR ACID RED DYES SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1983-09-20 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-20080038218-A1 Cosmetic composition comprising at least one electrophilic monomer, at least one fluoro compound and at least one liquid organic solvent KRT18, CUTA, FLNA ALDH1A1 828/4885TSHR 3393/4885THRB 3804/4885

“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.