SCHEMBL13239394

SCHEMBL13239394

C=C(C#N)C(=O)OCC(F)F

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL22462715 0.85 TSHR (0.53) TSHRALDH1A1
Bucrylate SCHEMBL168360 0.80 TSHR (0.62) TSHRALDH1A1
SCHEMBL4581215 0.78 TSHR (0.55) TSHRALDH1A1
SCHEMBL28021484 0.78 TSHR (0.60) TSHRALDH1A1
SCHEMBL7550815 0.77 TSHR (0.53) TSHRALDH1A1
SCHEMBL10530519 0.77 TSHR (0.63) TSHRALDH1A1
SCHEMBL18315246 0.77
SCHEMBL25850109 0.77 TSHR (0.53) TSHRALDH1A1
SCHEMBL4579700 0.76 TSHR (0.68) TSHRALDH1A1
SCHEMBL14440879 0.76 TSHR (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100172858-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE POLYMER OBTAINED FROM A DIELECTROPHILIC MONOMER L'OREAL S.A. (FR) 2010-07-08 US disclosed
US-20070251028-A1 Dyeing composition comprising at least one electrophilic monomer, one hydrophilic dye and one liquid organic solvent L'OREAL S.A. (FR) 2007-11-01 US disclosed
US-20070251028-A1 Dyeing composition comprising at least one electrophilic monomer, one hydrophilic dye and one liquid organic solvent L'OREAL S.A. (FR) 2007-11-01 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 (2 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-20070251028-A1 Dyeing composition comprising at least one electrophilic monomer, one hydrophilic dye and one liquid organic solvent KRT18, DSG1, IK TSHR 4753/4885ALDH1A1 18/4885
US-20100172858-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE POLYMER OBTAINED FROM A DIELECTROPHILIC MONOMER KRT18, DSG1, DSC1 TSHR 4403/4885ALDH1A1 320/4885

“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.