SCHEMBL20129031

SCHEMBL20129031

CC(C)(C)OC(=O)n1c2ccncc2c2c(F)c(F)c(-c3ccc(OCCOCCOCCOCCOCCOCc4ccccc4)nc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.35
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
CCNA1 P78396 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
KIT P10721 1/20 0.33
FLT3 P36888 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
FAAH O00519 1/20 0.33
BCHE P06276 1/20 0.33
CNR2 P34972 1/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
ALK Q9UM73 1/20 0.32
NR1H2 P55055 4/20 0.32
NR1H3 Q13133 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL20129030 0.90 NR1H2 (0.36) BTKPTGDR2GABRG2GABRB3GABRA5
SCHEMBL27097797 0.89 PTGES (0.36) BTKPTGDR2GABRG2GABRB3GABRA5
SCHEMBL20129029 0.85 TOP2A (0.35) PTGDR2FAAH
SCHEMBL20129032 0.78 BRD9 (0.44)
SCHEMBL20120547 0.75 CHEK1 (0.40) FAAHGABRG2GABRB3GABRA5GABRA1
SCHEMBL20120812 0.74 NR1H2 (0.38) BTKGABRG2GABRB3GABRA5NR1H2
SCHEMBL29773812 0.74 NR1H2 (0.38) BTKGABRG2GABRB3GABRA5NR1H2
SCHEMBL29547450 0.74 NR1H2 (0.38) BTKGABRG2GABRB3GABRA5NR1H2
SCHEMBL27098483 0.74 NR1H2 (0.38) BTKGABRG2GABRB3GABRA5NR1H2
SCHEMBL27098412 0.74 NR1H2 (0.38) BTKGABRG2GABRB3GABRA5NR1H2

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-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-05-10 US disclosed
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-05-10 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-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 BTK 2394/4885CCNT1 3323/4885CCNA2 2149/4885

“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.