SCHEMBL2532016

SCHEMBL2532016

CC(=O)ON(C(=O)OC(C)C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.38
GAA P10253 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL3279596 0.80 NPSR1 (0.41) TSHRSMN1; SMN2NPSR1ATMTDP1
SCHEMBL8706596 0.78 MEN1 (0.38) TSHRSMN1; SMN2NPSR1ATMTDP1
SCHEMBL11298089 0.77 TSHR (0.43) TSHRPDCD1CD274SMN1; SMN2GAA
SCHEMBL874377 0.77 TSHR (0.46) TSHRPDCD1CD274SMN1; SMN2GAA
SCHEMBL3507290 0.77 LMNA (0.58) TSHRPDCD1CD274SMN1; SMN2CHRNB2
SCHEMBL28031723 0.77 NPSR1 (0.39) TSHRSMN1; SMN2NPSR1ATMTDP1
SCHEMBL14166589 0.77 NPSR1 (0.39) TSHRSMN1; SMN2NPSR1LMNAHTT
SCHEMBL19639574 0.75 SMN1; SMN2 (0.33) TSHRPDCD1CD274SMN1; SMN2GAA
SCHEMBL29025475 0.75 ALDH1A1 (0.54) TSHRPDCD1CD274SMN1; SMN2GAA
SCHEMBL829848 0.75 TSHR (0.44) TSHRPDCD1CD274SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115974739-A Acyl compound of dimethyl cysteamine, synthetic method thereof and application thereof in synthesis of valnemulin hydrochloride 陕西师范大学 2023-04-18 CN claimed
US-20110256457-A1 NONAQUEOUS SECONDARY BATTERY AND FLAME RETARDANT FOR THE SAME SHARP KABUSHIKI KAISHA (JP) 2011-10-20 US claimed
CN-118043361-A Active energy ray-curable composition 科巨希化学股份有限公司 2024-05-14 CN disclosed
CN-113543897-B Method for producing polarizing film 日东电工株式会社 2023-04-18 CN disclosed
CN-115702372-A Polarizing film, optical film, and image display device 日东电工株式会社 2023-02-14 CN disclosed
CN-115698789-A Polarizing film, optical film, and image display device 日东电工株式会社 2023-02-03 CN disclosed
CN-115461661-A Circularly polarizing plate with antireflection layer and image display device using the circularly polarizing plate with antireflection layer 日东电工株式会社 2022-12-09 CN disclosed
CN-115298585-A Polarizing film, image display device, and method for manufacturing polarizing film 日东电工株式会社 2022-11-04 CN disclosed
EP-4048712-A1 MULTI(METH)ACRYLATE-FUNCTIONALIZED OLIGOMERS AND METHODS OF PREPARING AND USING SUCH OLIGOMERS ARKEMA FRANCE (FR) 2022-08-31 EP disclosed
US-8592081-B2 Nonaqueous secondary battery and flame retardant for the same SHARP KABUSHIKI KAISHA (JP) 2013-11-26 US disclosed
US-20110256457-A1 NONAQUEOUS SECONDARY BATTERY AND FLAME RETARDANT FOR THE SAME SHARP KABUSHIKI KAISHA (JP) 2011-10-20 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-20110256457-A1 NONAQUEOUS SECONDARY BATTERY AND FLAME RETARDANT FOR THE SAME NAF1, AFF1, KCNN2 TSHR 276/4885PDCD1 3151/4885CD274 3199/4885

“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.