SCHEMBL3095132

SCHEMBL3095132

C=C(CC(O)COC(=O)C(C)=CC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 4/20 0.39
TET3 O43151 1/20 0.39
TET1 Q8NFU7 1/20 0.39
TSHR P16473 1/20 0.37
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
GRM1 Q13255 1/20 0.34
GRM2 Q14416 1/20 0.34
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL5801988 0.86 TSHR (0.36) TSHRCYP2D6CYP2C19USP2ALDH1A1
SCHEMBL6036744 0.85 TSHR (0.53) TET2TET3TET1TSHRGRIK1
SCHEMBL10706149 0.77 TET2 (0.39) TET2TET3TET1TSHRGRIK1
SCHEMBL10706143 0.77 TET2 (0.39) TET2TET3TET1TSHRGRIK1
SCHEMBL14945 0.75 LMNA (0.43) TSHRUSP2ALDH1A1CYP3A4MAPT
SCHEMBL364492 0.75 TSHR (0.48) TET2TET3TET1TSHRGRIK1
SCHEMBL9811825 0.75 TET2 (0.47) TET2TET3TET1GRIK1GRIK2
Acrylic Acid SCHEMBL26649873 0.74 LMNA (0.37) TSHRUSP2ALDH1A1CYP3A4MAPT
SCHEMBL1437851 0.74 CA1 (0.47) TSHRUSP2ALDH1A1CYP3A4MAPT
SCHEMBL27606246 0.74 TSHR (0.34) TSHRUSP2ALDH1A1CYP3A4MAPT

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
WO-2016093156-A1 CLEANSING COMPOSITION CONTAINING AMORPHOUS AGGLOMERATE PARTICLE L'OREAL (FR) 2016-06-16 WO disclosed
US-8337822-B2 Treatment of the hair; forms a coating resistant to external attacks such as blow drying and/or perspiration, has excellent adhesion to individual hairs, and is resistant to shampooing; polyureadimethicone for example L'OREAL (FR) 2012-12-25 US disclosed
US-7799093-B2 Coloring composition of keratinous fibers comprising at least one polysiloxane/polyurea block copolymer L'ORéAL S.A. (FR) 2010-09-21 US disclosed
US-20080171010-A1 Use of a polysiloxane/polyurea block copolymer for the treatment of keratinous fibers L'OREAL S.A. (FR) 2008-07-17 US disclosed
US-20080127429-A1 Coloring composition of keratinous fibers comprising at least one polysiloxane/polyurea block copolymer L'OREAL S.A. (FR) 2008-06-05 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-20080171010-A1 Use of a polysiloxane/polyurea block copolymer for the treatment of keratinous fibers KRT18, POLR1C, PRKDC TET2 2267/4885TET3 1561/4885TET1 1973/4885
US-20080127429-A1 Coloring composition of keratinous fibers comprising at least one polysiloxane/polyurea block copolymer KRT18, PUF60, VIM TET2 3935/4885TET3 1962/4885TET1 2121/4885

“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.