SCHEMBL429636

SCHEMBL429636

C=CC(=O)OC(C)(F)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.33
ALDH1A1 P00352 6/20 0.32
TP53 P04637 3/20 0.32
HIF1A Q16665 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.31
THRB P10828 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
Trifluoroacetic Acid SCHEMBL28834686 0.81 TSHR (0.32) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2283715 0.79
SCHEMBL5457746 0.79
SCHEMBL28082828 0.78 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL16433325 0.77 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10716844 0.77 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL17792467 0.77 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28173218 0.77 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
Hydrogen Peroxide SCHEMBL27482921 0.77 LMNA (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL31091781 0.76 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170240677-A1 FILM-FORMING COMPOSITION AND COSMETIC SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-08-24 US disclosed
US-20120021228-A1 MULTILAYER COATING FILM-FORMING METHOD KANSAI PAINT CO., LTD. (JP) 2012-01-26 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-20170240677-A1 FILM-FORMING COMPOSITION AND COSMETIC RAD51, FEM1B, H1-0 TSHR 1060/4885ALDH1A1 2341/4885TP53 2038/4885

“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.