SCHEMBL4818353

SCHEMBL4818353

C=C(C)C(=O)OCC(C)(C)NCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.39
THRB P10828 1/20 0.38
CYP2D6 P10635 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HTR1A P08908 1/20 0.36
SCN1A P35498 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
EGLN1 Q9GZT9 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
CTH P32929 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
SCHEMBL3675723 0.84 THRB (0.43) TSHRALDH1A1THRBCYP2D6TDP1
SCHEMBL625056 0.80 TSHR (0.41) TSHRALDH1A1THRBCYP2D6TDP1
SCHEMBL17717777 0.79 TSHR (0.38) TSHRALDH1A1THRBCYP2D6TDP1
SCHEMBL13730475 0.78 TSHR (0.49) TSHRALDH1A1THRBCYP2D6TDP1
SCHEMBL7161941 0.78 TSHR (0.42) TSHRALDH1A1THRBTDP1POLB
SCHEMBL16267594 0.77 TSHR (0.36) TSHRALDH1A1THRBEGLN1
SCHEMBL13732412 0.77 HTR1A (0.45) ALDH1A1CYP2D6TDP1HTR1ASCN1A
SCHEMBL13730855 0.76 TSHR (0.54) TSHRALDH1A1THRBCYP2D6TDP1
SCHEMBL14353640 0.76 TSHR (0.54) TSHRALDH1A1THRBCYP2D6TDP1
SCHEMBL13732043 0.76 TSHR (0.54) TSHRALDH1A1THRBCYP2D6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3638192-B1 COMBINATION OF POLYION COMPLEX PARTICLE AND NON-POLYMERIC ACID OR BASE HAVING TWO OR MORE DISSOCIATION CONSTANTS OREAL (FR) 2025-04-02 EP disclosed
US-11975093-B2 Composition comprising oil and polyion complex including cellulose-based cationic polymer with at least one fatty chain L'OREAL (FR) 2024-05-07 US disclosed
US-11819564-B2 Composition comprising polyion complex particle and oil L'OREAL (FR) 2023-11-21 US disclosed
EP-2806851-B2 COMPOSITION COMPRISING AT LEAST ONE SPECIFIC ALKOXYSILANE POLYMER OREAL (FR) 2023-08-30 EP disclosed
WO-2021133971-A1 MASCARA BASED ON POLYPHENOL AND FILM FORMING POLYMER AND METHODS FOR MAKING UP EYELASHES L'OREAL (FR) 2021-07-01 WO disclosed
US-7335348-B2 Hairstyling composition which makes possible remodelling of the hairstyle and process for remodelling the hairstyle using such a composition L'OREAL (FR) 2008-02-26 US disclosed
US-20050208005-A1 Cosmetic composition comprising particles having a core-shell structure L'OREAL S.A. (FR) 2005-09-22 US disclosed
US-20050186151-A1 Cosmetic composition comprising stabilized and optionally coated metal particles L'OREAL S.A. (FR) 2005-08-25 US disclosed
US-20050112154-A1 Cosmetic composition comprising particles having a core-shell structure L'OREAL S.A. (FR) 2005-05-26 US disclosed
US-20050112155-A1 Cosmetic composition comprising a passivated and optionally coated metal particles L'OREAL S.A. (FR) 2005-05-26 US disclosed
US-20030143180-A1 Hairstyling composition which makes possible remodelling of the hairstyle and process for remodelling the hairstyle using such a composition L'OREAL 2003-07-31 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 (7 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-20030143180-A1 Hairstyling composition which makes possible remodelling of the hairstyle and process for remodelling the hairstyle using such a composition KRT18, PIK3C3, FKBP5 TSHR 3293/4885ALDH1A1 4801/4885THRB 3561/4885
US-20050186151-A1 Cosmetic composition comprising stabilized and optionally coated metal particles KRT18, CUTA, LAGE3 TSHR 2869/4885ALDH1A1 1600/4885THRB 3883/4885
US-20050112155-A1 Cosmetic composition comprising a passivated and optionally coated metal particles CUTA, KRT18, TYR TSHR 943/4885ALDH1A1 180/4885THRB 2921/4885
US-11975093-B2 Composition comprising oil and polyion complex including cellulose-based cationic polymer with at least one fatty chain PRKCA, PRKCH, CUTA TSHR 4639/4885ALDH1A1 4493/4885THRB 3971/4885
US-20050112154-A1 Cosmetic composition comprising particles having a core-shell structure KRT18, CUTA, DSG1 TSHR 2948/4885ALDH1A1 743/4885THRB 3503/4885
US-11819564-B2 Composition comprising polyion complex particle and oil PIK3CA, PTEN, PIK3CG TSHR 3897/4885ALDH1A1 4755/4885THRB 3892/4885
US-20050208005-A1 Cosmetic composition comprising particles having a core-shell structure KRT18, CUTA, DSG1 TSHR 2974/4885ALDH1A1 869/4885THRB 3814/4885

“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.