SCHEMBL822676

SCHEMBL822676

C=C(C)C(=O)OCNC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ALDH1A1 P00352 3/20 0.48
THRB P10828 1/20 0.45
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
MAPT P10636 1/20 0.31
PAOX Q6QHF9 2/20 0.30

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
SCHEMBL17250046 0.84 THRB (0.48) TSHRALDH1A1THRBTDP1POLB
SCHEMBL23746701 0.83 ALDH1A1 (0.50) TSHRALDH1A1THRBTDP1POLB
SCHEMBL6060478 0.83 TSHR (0.45) TSHRALDH1A1THRBTDP1POLB
SCHEMBL17676406 0.81 THRB (0.46) TSHRALDH1A1THRBTDP1POLB
SCHEMBL4120854 0.81 TSHR (0.44) TSHRALDH1A1THRBTDP1POLB
SCHEMBL22217175 0.79 TSHR (0.42) TSHRALDH1A1THRBTDP1POLB
SCHEMBL5576280 0.79 TSHR (0.45) TSHRALDH1A1THRBMAPK1TDP1
SCHEMBL8517689 0.79 THRB (0.48) TSHRALDH1A1THRBMGAMGAA
SCHEMBL1548496 0.79
SCHEMBL685408 0.78 THRB (0.52) TSHRALDH1A1THRBKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3910003-A1 POLYAMIDE-IMIDE BLOCK COPOLYMER, METHOD FOR PREPARING SAME, AND POLYAMIDE-IMIDE FILM COMPRISING SAME LG Chem, Ltd. (KR) 2021-11-17 EP disclosed
US-8357771-B2 Production of ophthalmic devices based on photo-induced step growth polymerization NOVARTIS AG (CH) 2013-01-22 US disclosed
US-20110269869-A1 PRODUCTION OF OPHTHALMIC DEVICES BASED ON PHOTO-INDUCED STEP GROWTH POLYMERIZATION ALCON INC. (CH) 2011-11-03 US disclosed
US-7977430-B2 Prepared by reacting an amine- or isocyanate-capped polyurea with a multifunctional compound having at least one one ethylenically unsaturated group and a function group coreactive with the capping amine or isocyanate groups of the polyurea; soft contact lenses; durability NOVARTIS AG (CH) 2011-07-12 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-20110269869-A1 PRODUCTION OF OPHTHALMIC DEVICES BASED ON PHOTO-INDUCED STEP GROWTH POLYMERIZATION CRYAA, CRYZ, CRYAB TSHR 3392/4885ALDH1A1 2409/4885THRB 4033/4885

“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.