SCHEMBL23031134

SCHEMBL23031134

C=CCOC(=O)CCCNC(=O)C(=C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.53
▸ EPHX2 P34913 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.43
▸ GAA P10253 1/20 0.43
▸ LMNA P02545 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ DGKA P23743 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ APBA1 Q02410 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL23031199 0.90 TSHR (0.47) TSHREPHX2ALDH1A1GAALMNA
SCHEMBL13991921 0.83 TSHR (0.55) TSHREPHX2ALDH1A1GAALMNA
SCHEMBL27780836 0.82 CYP1A2 (0.47) EPHX2ALDH1A1GAASMN1; SMN2CYP1A2
SCHEMBL27797118 0.80 TSHR (0.42) TSHREPHX2ALDH1A1GAALMNA
SCHEMBL7568085 0.79 PAM (0.49) TSHREPHX2ALDH1A1DGKAACHE
SCHEMBL19528803 0.79 CYP1A2 (0.44) EPHX2ALDH1A1GAASMN1; SMN2CYP1A2
SCHEMBL12629241 0.78 TSHR (0.61) TSHREPHX2ALDH1A1GAALMNA
SCHEMBL10081657 0.78 ALDH1A1 (0.50) EPHX2ALDH1A1GAADGKACYP1A2
SCHEMBL7872488 0.77 TSHR (0.51) TSHREPHX2ALDH1A1GAALMNA
SCHEMBL2009839 0.76 TSHR (0.62) TSHREPHX2ALDH1A1GAALMNA

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.

Send feedback