SCHEMBL17083047

SCHEMBL17083047

Cc1ccc(/C=C/c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 5/20 1.00
▸ HTT P42858 1/20 0.59
▸ FBP1 P09467 1/20 0.53
▸ CHRNB2 P17787 1/20 0.52
▸ CHRNB4 P30926 1/20 0.52
▸ CHRNA3 P32297 1/20 0.52
▸ CHRNA7 P36544 1/20 0.52
▸ CHRNA4 P43681 1/20 0.52
▸ MAOA P21397 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ PTGES2 Q9H7Z7 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48

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
SCHEMBL13874966 0.91 NFE2L2 (0.84) NFE2L2HTTFBP1CHRNB2CHRNB4
SCHEMBL13790316 0.91 NFE2L2 (0.82) NFE2L2FBP1CHRNB2CHRNB4CHRNA3
SCHEMBL3904046 0.85 NFE2L2 (0.73) NFE2L2FBP1CHRNB2CHRNB4CHRNA3
SCHEMBL5496405 0.85 NFE2L2 (0.73) NFE2L2FBP1CHRNB2CHRNB4CHRNA3
SCHEMBL15623938 0.84 NFE2L2 (0.72) NFE2L2FBP1CHRNB2CHRNB4CHRNA3
SCHEMBL14363044 0.83 NFE2L2 (0.71) NFE2L2HTT
SCHEMBL22398153 0.82 NFE2L2 (0.70) NFE2L2FBP1
SCHEMBL22398154 0.82 NFE2L2 (0.70) NFE2L2FBP1
SCHEMBL30632949 0.82 NFE2L2 (0.70) NFE2L2FBP1
SCHEMBL8139857 0.82 NFE2L2 (0.70) NFE2L2FBP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3116851-B1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INST FOR BIOLOGICAL STUDI (US) 2023-07-26 — — EP disclosed
US-20220023172-A1 COSMETIC COMPOSITIONS AND METHODS OF USE TRUJILLO KRISTINA (US) 2022-01-27 — — US disclosed
US-20200397676-A1 COSMETIC COMPOSITIONS AND METHODS OF USE K&K BIOTECH (US) 2020-12-24 — — US disclosed
WO-2020112998-A1 COSMETIC COMPOSITIONS AND METHODS OF USE STC.UNM (US) 2020-06-04 — — WO disclosed
US-20190160021-A1 Substituted Stilbenes as Inhibitors of NF-kappaB and Activators of Nrf2 STC UNM (US) 2019-05-30 — — US disclosed
WO-2017078927-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-05-11 — — WO disclosed
US-20170066724-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-03-09 — — US disclosed
WO-2015138969-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2015-09-17 — — WO 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 (4 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-20170066724-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING FXR2, FXR1, SLC10A2 NFE2L2 375/4885HTT 3781/4885FBP1 30/4885
US-20190160021-A1 Substituted Stilbenes as Inhibitors of NF-kappaB and Activators of Nrf2 NFKBIA, NFE2L2, NFKB2 NFE2L2 2/4885HTT 310/4885FBP1 2897/4885
US-20220023172-A1 COSMETIC COMPOSITIONS AND METHODS OF USE NFKBIA, IKBKB, NFKB2 NFE2L2 9/4885HTT 3472/4885FBP1 3048/4885
US-20200397676-A1 COSMETIC COMPOSITIONS AND METHODS OF USE KEAP1, NFE2L2, NQO1 NFE2L2 2/4885HTT 3460/4885FBP1 2440/4885

“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.

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