SCHEMBL625056

SCHEMBL625056

C=C(C)C(=O)OCC(C)(C)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.40
THRB P10828 1/20 0.39
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
TGFBR1 P36897 1/20 0.31
HTR1A P08908 1/20 0.30
CYP2D6 P10635 1/20 0.30
SCN1A P35498 1/20 0.30
SLC6A3 Q01959 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL7161941 0.87 TSHR (0.42) TSHRALDH1A1THRBTDP1POLB
SCHEMBL4981584 0.84 TSHR (0.40) TSHRALDH1A1THRBTGFBR1
SCHEMBL302003 0.82 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL16805856 0.81 ALDH1A1 (0.38) TSHRALDH1A1THRBTGFBR1
SCHEMBL17522064 0.81 ALDH1A1 (0.43) TSHRALDH1A1THRBTDP1
SCHEMBL4818353 0.80 TSHR (0.40) TSHRALDH1A1THRBTDP1POLB
SCHEMBL962842 0.78 TSHR (0.48) TSHRALDH1A1THRBTDP1POLB
SCHEMBL22215980 0.78 TSHR (0.41) TSHRALDH1A1THRBTGFBR1
SCHEMBL3675723 0.78 THRB (0.43) TSHRALDH1A1THRBTDP1MGAM
SCHEMBL51592 0.76 TSHR (0.50) TSHRALDH1A1THRBTDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018128678-A2 COMPOSITIONS AND METHODS FOR RESTRUCTURING CHEMICALLY TREATED HAIR L'OREAL (FR) 2018-07-12 WO disclosed
WO-2018093575-A1 COMPOSITIONS AND METHODS FOR IMPROVING THE QUALITY OF CHEMICALLY TREATED HAIR L'OREAL (FR) 2018-05-24 WO disclosed
WO-2012021472-A2 COMPOSITIONS AND METHODS FOR SEALING THE SURFACE OF KERATINOUS SUBSTRATES L'OREAL S. A. (FR) 2012-02-16 WO disclosed
EP-1855643-A1 DYEING OF IN PARTICULAR HUMAN KERATIN MATERIALS BY DRY THERMAL TRANSFER OF A DIRECT DYE, COMPOSITION COMPRISING THE SAID DYE AND ITS METHOD OF PREPARATION L'OREAL (FR) 2007-11-21 EP disclosed
EP-1855638-A1 DYEING OF IN PARTICULAR HUMAN KERATIN MATERIALS BY DRY THERMAL TRANSFER OF A DIRECT ANTHRAQUINONE DYE, COMPOSITION COMPRISING THE SAID DYE AND ITS METHOD OF PREPARATION L'Oréal (FR) 2007-11-21 EP disclosed
US-20060230546-A1 Anhydrous composition in the form of a film comprising at least one film-forming polymer and at least one oxidation dye, preparation, and dyeing process L'OREAL S.A. (FR) 2006-10-19 US disclosed
WO-2006089809-A1 DYEING OF IN PARTICULAR HUMAN KERATIN MATERIALS BY DRY THERMAL TRANSFER OF A DIRECT ANTHRAQUINONE DYE, COMPOSITION COMPRISING THE SAID DYE AND ITS METHOD OF PREPARATION L'OREAL (FR) 2006-08-31 WO disclosed
WO-2006089806-A1 DYEING OF IN PARTICULAR HUMAN KERATIN MATERIALS BY DRY THERMAL TRANSFER OF A DIRECT DYE, COMPOSITION COMPRISING THE SAID DYE AND ITS METHOD OF PREPARATION L'ORÉAL (FR) 2006-08-31 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-20060230546-A1 Anhydrous composition in the form of a film comprising at least one film-forming polymer and at least one oxidation dye, preparation, and dyeing process KRT18, DSG1, DSP TSHR 4877/4885ALDH1A1 93/4885THRB 4153/4885

“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.