SCHEMBL2786572

SCHEMBL2786572

C=C(C)C(=O)OC.CC/C(NC(C)(C)C(=O)O)=C(/C)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
KDM4C Q9H3R0 1/20 0.36
TSHR P16473 1/20 0.32
THRB P10828 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
SCHEMBL5362649 0.92 KDM4C (0.41) ALDH1A1KDM4C
SCHEMBL4654095 0.77 KDM4C (0.44) KDM4C
Propionic Acid SCHEMBL27991669 0.72 ALDH1A1 (0.71) ALDH1A1TSHRTHRB
SCHEMBL27543559 0.70 ALDH1A1 (0.68) ALDH1A1TSHRTHRB
Butanone SCHEMBL9514626 0.70 ALDH1A1 (0.75) ALDH1A1TSHRTHRB
Propane SCHEMBL23527365 0.70 ALDH1A1 (0.83) ALDH1A1TSHRTHRB
Propane SCHEMBL6470806 0.70 ALDH1A1 (0.83) ALDH1A1TSHRTHRB
Hydrogen Peroxide SCHEMBL9143793 0.70
Methacrylic Acid SCHEMBL28712774 0.70 ALDH1A1 (0.60) ALDH1A1TSHRTHRB
Acetic Acid SCHEMBL27341360 0.68 ALDH1A1 (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297051-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE ELASTOMERIC ANIONIC POLYURETHANE AND AT LEAST ONE NON-IONIC THICKENER L'OREAL S.A. (FR) 2010-11-25 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-20100297051-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE ELASTOMERIC ANIONIC POLYURETHANE AND AT LEAST ONE NON-IONIC THICKENER CUTA, DSG1, PARG ALDH1A1 1259/4885KDM4C 4100/4885TSHR 1426/4885

“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.