SCHEMBL20149753

SCHEMBL20149753

C=CC(=O)OCCNC(=O)NCCOC(O)NCCC[Si](OC)(OC)OC

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 1/20 0.36
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL16921061 0.93 TSHR (0.32) TSHRHPGDALDH1A1CYP3A4
SCHEMBL13197154 0.87 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL22522293 0.79 TSHR (0.33) TSHRHPGDALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL11572388 0.77 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL16985044 0.76 TSHR (0.36) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL22522317 0.75 TSHR (0.38) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL21404661 0.75 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4
SCHEMBL16985059 0.75 TSHR (0.45) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL71730 0.74 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL21404624 0.74 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4TP53

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-20180134912-A1 UREA (MULTI)-URETHANE (METH)ACRYLATE-SILANE COMPOSITIONS AND ARTICLES INCLUDING THE SAME 3M INNOVATIVE PROPERTIES CO (US) 2018-05-17 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-20180134912-A1 UREA (MULTI)-URETHANE (METH)ACRYLATE-SILANE COMPOSITIONS AND ARTICLES INCLUDING THE SAME RCOR1, RUVBL1, RER1 TSHR 1272/4885HPGD 4194/4885ALDH1A1 268/4885

“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.