SCHEMBL23746012

SCHEMBL23746012

C=CC(=O)OC(C)(C)CC(C)(C)S

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.35
ALDH1A1 P00352 4/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.33
THRB P10828 2/20 0.33
THRA P10827 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
SCHEMBL7158382 0.87 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1108027 0.83 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29072786 0.82 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL23771556 0.82 ALDH1A1 (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL15743892 0.82 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL21626582 0.80 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL6330520 0.80 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4590512 0.79 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL24130745 0.78 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22008581 0.78 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210244626-A1 DENTAL RESTORATION COMPOSITE RESIN GC CORPORATION (JP) 2021-08-12 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-20210244626-A1 DENTAL RESTORATION COMPOSITE RESIN COG1, ARCN1, PSMA1 TSHR 3715/4885ALDH1A1 716/4885TP53 2137/4885

“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.