SCHEMBL23406423

SCHEMBL23406423

[CH]=C(Cl)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.54
TDP1 Q9NUW8 3/20 0.52
ALDH1A1 P00352 4/20 0.50
FFAR1 O14842 2/20 0.50
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC1 Q13547 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL5215516 0.80 KEAP1 (0.58) KEAP1TDP1ALDH1A1FFAR1HDAC2
SCHEMBL8668318 0.76 ALDH1A1 (0.61) KEAP1TDP1ALDH1A1FFAR1HDAC2
SCHEMBL28200575 0.76 KEAP1 (0.54) KEAP1TDP1ALDH1A1FFAR1HDAC2
SCHEMBL12195215 0.76 KEAP1 (0.54) KEAP1TDP1ALDH1A1FFAR1HDAC2
SCHEMBL1602027 0.76 KEAP1 (0.54) KEAP1TDP1ALDH1A1FFAR1HDAC2
SCHEMBL5864 0.76 KEAP1 (0.67) KEAP1TDP1ALDH1A1FFAR1HDAC2
SCHEMBL28435620 0.76 KEAP1 (0.54) KEAP1TDP1ALDH1A1FFAR1HDAC2
SCHEMBL28268456 0.75 CES1 (0.50) TDP1ALDH1A1HDAC8HDAC6MAPK1
SCHEMBL2240494 0.74 KEAP1 (0.64) KEAP1TDP1ALDH1A1FFAR1HDAC2
SCHEMBL28338568 0.74 KEAP1 (0.64) KEAP1TDP1ALDH1A1FFAR1HDAC2

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-20210163408-A1 METHOD FOR PREPARING A POLYFLUORINATED COMPOUND ETH ZURICH (CH) 2021-06-03 US disclosed
CN-112689623-A Process for preparing polyfluoro compounds 瑞士苏黎世联邦理工学院 2021-04-20 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 (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-20210163408-A1 METHOD FOR PREPARING A POLYFLUORINATED COMPOUND AFF4, AR, AFF2 KEAP1 2779/4885TDP1 3779/4885ALDH1A1 4317/4885

“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.