SCHEMBL19862655

SCHEMBL19862655

C=C(C)C(=O)OCCNC(=O)C(F)(F)S(=O)(=O)OC(C)C(=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.34
USP2 O75604 3/20 0.34
CYP1A2 P05177 2/20 0.34
NR1I2 O75469 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL19862674 0.93 CYP3A4 (0.34) CYP3A4USP2CYP1A2NR1I2ADRB1
SCHEMBL19862667 0.90 POLB (0.33) CYP3A4USP2CYP1A2NR1I2ADRB1
SCHEMBL19862660 0.86 KMT2A (0.33) USP2SMN1; SMN2POLBHTTTDP1
SCHEMBL19862654 0.84 CYP3A4 (0.34) CYP3A4USP2CYP1A2NR1I2ADRB1
SCHEMBL19862668 0.77 SMN1; SMN2 (0.37) CYP3A4USP2CYP1A2SMN1; SMN2POLB
SCHEMBL14328350 0.73 THRB (0.39) SMN1; SMN2POLBAPEX1HTTTDP1
SCHEMBL17447747 0.73 THRB (0.39) SMN1; SMN2POLBAPEX1HTTTDP1
SCHEMBL19862656 0.72 SMN1; SMN2 (0.34) CYP3A4USP2CYP1A2NR1I2ADRB1
SCHEMBL10712444 0.72 MAPT (0.42) CYP3A4USP2ADRA2AADRA2BHTR2A
SCHEMBL19865204 0.71 MAPT (0.38) CYP3A4ADRA2AADRA2BHTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951164-B2 Non-ionic aryl ketone based polymeric photo-acid generators INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-04-24 US disclosed
US-20180044459-A1 NON-IONIC ARYL KETONE BASED POLYMERIC PHOTO-ACID GENERATORS CENTRAL GLASS CO., LTD. (JP) 2018-02-15 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-20180044459-A1 NON-IONIC ARYL KETONE BASED POLYMERIC PHOTO-ACID GENERATORS PPARG, PPARA, PPARD CYP3A4 763/4885USP2 1844/4885CYP1A2 875/4885

“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.