SCHEMBL23031199

SCHEMBL23031199

C=CCOC(=O)CCNC(=O)C(=C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ EPHX2 P34913 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ GAA P10253 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ APBA1 Q02410 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CASP1 P29466 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL23031134 0.90 TSHR (0.53) TSHREPHX2ALDH1A1GAATDP1
SCHEMBL5419294 0.84 TSHR (0.51) TSHREPHX2ALDH1A1GAATDP1
SCHEMBL27797118 0.83 TSHR (0.42) TSHREPHX2ALDH1A1GAATDP1
SCHEMBL10081654 0.81 GAA (0.50) ALDH1A1GAAL3MBTL1LMNAHSD17B10
SCHEMBL14996268 0.78 TSHR (0.48) TSHREPHX2ALDH1A1GAALMNA
SCHEMBL20144648 0.78 DGKA (0.43) TSHREPHX2ALDH1A1GAASMN1; SMN2
SCHEMBL6151497 0.77 MEN1 (0.36) TSHRALDH1A1TDP1LMNAHSD17B10
SCHEMBL1836429 0.77 TSHR (0.47) TSHREPHX2ALDH1A1GAATDP1
Methacrylic Acid SCHEMBL22345178 0.77 TSHR (0.55) TSHREPHX2ALDH1A1GAATDP1
SCHEMBL12580545 0.77 TSHR (0.55) TSHREPHX2ALDH1A1GAATDP1

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-20210052469-A1 POLYMERIZABLE DENTAL COMPOSITION BASED ON CONDENSED SILANES VOCO GMBH (DE) 2021-02-25 — — 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-20210052469-A1 POLYMERIZABLE DENTAL COMPOSITION BASED ON CONDENSED SILANES NCAPH, RCC1, NCAPD2 TSHR 4596/4885EPHX2 923/4885ALDH1A1 1481/4885

“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.

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