SCHEMBL23909439

SCHEMBL23909439

C=C(F)C(=O)OCC(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.65
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 2/20 0.34
GAA P10253 2/20 0.34
NR1H3 Q13133 1/20 0.34
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 1/20 0.32
P2RX4 Q99571 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS1 P23219 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
SCHEMBL5946495 0.84 TSHR (0.47) TSHRMAPK1MAPTHSD17B10
SCHEMBL20262429 0.81 TSHR (0.71) TSHRALDH1A1SMN1; SMN2MAPK1GAA
SCHEMBL26670065 0.81 TSHR (0.64) TSHRALDH1A1SMN1; SMN2MAPK1GAA
SCHEMBL8194079 0.81 TSHR (0.44) TSHRTDP1
SCHEMBL298254 0.80 TSHR (0.68) TSHRALDH1A1SMN1; SMN2MAPK1GAA
SCHEMBL5165163 0.79 TSHR (0.40) TSHR
SCHEMBL24562 0.79 TSHR (1.00) TSHRALDH1A1SMN1; SMN2HPGDTDP1
SCHEMBL7678018 0.79 TSHR (0.68) TSHRALDH1A1SMN1; SMN2MAPK1GAA
SCHEMBL6063406 0.79 TSHR (0.68) TSHRALDH1A1SMN1; SMN2MAPK1HPGD
SCHEMBL13806617 0.78 TSHR (0.41) TSHRALDH1A1KDM4EMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112585113-B Process for distillative purification of fluorine-containing polymerizable monomers 中央硝子株式会社 2023-08-22 CN disclosed
US-11597696-B2 Method for purifying polymerizable fluoromonomer by distillation CENTRAL GLASS COMPANY, LIMITED (JP) 2023-03-07 US disclosed
WO-2021231517-A1 CURABLE OXAMATE ESTERS AND FORMULATIONS MADE THEREFROM Henkel IP & Holding GmbH (DE) 2021-11-18 WO disclosed
US-20210317065-A1 Method for Purifying Polymerizable Fluoromonomer by Distillation CENTRAL GLASS COMPANY, LIMITED (JP) 2021-10-14 US disclosed
CN-112585113-A Method for purifying fluorine-containing polymerizable monomer by distillation 中央硝子株式会社 2021-03-30 CN 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 (2 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-20210317065-A1 Method for Purifying Polymerizable Fluoromonomer by Distillation AFF1, AFF4, AFF2 TSHR 3387/4885ALDH1A1 950/4885SMN1; SMN2 4320/4885
US-11597696-B2 Method for purifying polymerizable fluoromonomer by distillation AFF1, AFF4, AFF2 TSHR 3387/4885ALDH1A1 950/4885SMN1; SMN2 4320/4885

“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.