SCHEMBL22553033

SCHEMBL22553033

O=C(O)c1ccc(/C=C/c2ccccc2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.55
SRD5A2 P31213 2/20 0.50
SRD5A1 P18405 1/20 0.50
P4HB P07237 1/20 0.49
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
KCNH2 Q12809 2/20 0.49
TTR P02766 4/20 0.49
HDAC1 Q13547 1/20 0.46
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
UNG P13051 1/20 0.43

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
SCHEMBL29544597 0.81 PTPN1 (0.51) SRD5A2SRD5A1TTRHDAC1UNG
SCHEMBL22553051 0.81 NFE2L2 (0.67) NFE2L2TTRHDAC1
SCHEMBL22553049 0.81 NFE2L2 (0.67) NFE2L2TTRHDAC1
SCHEMBL5693326 0.81 MIF (0.59) NFE2L2HTR2AHTR2CKCNH2TTR
SCHEMBL8319110 0.81 MIF (0.59) NFE2L2HTR2AHTR2CKCNH2TTR
SCHEMBL4319700 0.80 KDM4E (0.48) NFE2L2SRD5A2HTR2AHTR2CKCNH2
SCHEMBL4319695 0.80 KDM4E (0.48) NFE2L2SRD5A2HTR2AHTR2CKCNH2
SCHEMBL13535961 0.79 HTT (0.50) SRD5A2P4HBLMNAMAPK1HTT
SCHEMBL8475379 0.78 BCL2L1 (0.54) NFE2L2SRD5A2SRD5A1TTRHDAC1
SCHEMBL16687611 0.78 SRD5A1 (0.55) SRD5A2SRD5A1TTRHDAC1

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
US-10961178-B2 Cycloaddition reactions using quantum dots NORTHWESTERN UNIVERSITY (US) 2021-03-30 US disclosed
US-10961178-B2 Cycloaddition reactions using quantum dots NORTHWESTERN UNIVERSITY (US) 2021-03-30 US disclosed
US-20200331836-A1 CYCLOADDITION REACTIONS USING QUANTUM DOTS NORTHWESTERN UNIVERSITY 2020-10-22 US disclosed
US-20200331836-A1 CYCLOADDITION REACTIONS USING QUANTUM DOTS NORTHWESTERN UNIVERSITY 2020-10-22 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 (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-20200331836-A1 CYCLOADDITION REACTIONS USING QUANTUM DOTS SYNGR2, SYNJ1, SQLE NFE2L2 882/4885SRD5A2 3287/4885SRD5A1 3464/4885
US-10961178-B2 Cycloaddition reactions using quantum dots SYNGR2, SYNJ1, SQLE NFE2L2 882/4885SRD5A2 3287/4885SRD5A1 3464/4885

“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.