SCHEMBL18960907

SCHEMBL18960907

CC(C)(C)/C=C/C(=O)OI

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL18961118 0.83 KEAP1 (0.31) KEAP1NFE2L2HCAR2
SCHEMBL1881404 0.77 NFE2L2 (0.60) KEAP1NFE2L2HCAR2
SCHEMBL3022767 0.77 NFE2L2 (0.60) KEAP1NFE2L2HCAR2
SCHEMBL14457285 0.75 KEAP1 (0.32) KEAP1NFE2L2HCAR2
SCHEMBL1880638 0.75 DGAT1 (0.34) KEAP1NFE2L2HCAR2
SCHEMBL13921048 0.75 DGAT1 (0.34) KEAP1NFE2L2HCAR2
SCHEMBL23895099 0.74 HCAR2 (0.44) KEAP1NFE2L2HCAR2
SCHEMBL5691943 0.74 HCAR2 (0.44) KEAP1NFE2L2HCAR2
SCHEMBL4144646 0.73 ALDH1A1 (0.48) KEAP1NFE2L2HCAR2
SCHEMBL1884771 0.71 HCAR2 (0.56) HCAR2

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-11072595-B2 Benzothiophene-based selective estrogen receptor downregulator compounds The Board of Trustees of lhe University of Illinois (US) 2021-07-27 US disclosed
US-20170166550-A1 BENZOTHIOPHENE-BASED SELECTIVE ESTROGEN RECEPTOR DOWNREGULATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-06-15 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 (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-20170166550-A1 BENZOTHIOPHENE-BASED SELECTIVE ESTROGEN RECEPTOR DOWNREGULATORS ESR1, ESR2, GPER1 KEAP1 466/4885NFE2L2 100/4885HCAR2 229/4885
US-11072595-B2 Benzothiophene-based selective estrogen receptor downregulator compounds ESR1, ESR2, GPER1 KEAP1 390/4885NFE2L2 83/4885HCAR2 270/4885

“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.