SCHEMBL20201545

SCHEMBL20201545

CC(C)(C)COCCOCCOCCCCOC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GBA2 Q9HCG7 2/20 0.35
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL19420784 0.98 GBA2 (0.37) GBA2CYP4F2CYP4A11MEN1THRB
SCHEMBL19420789 0.95 GBA2 (0.35) GBA2CYP4F2CYP4A11MEN1THRB
SCHEMBL20201547 0.95 GBA2 (0.35) GBA2CYP4F2CYP4A11CES1
SCHEMBL19420767 0.95 GBA2 (0.35) GBA2CYP4F2CYP4A11MEN1THRB
SCHEMBL20201546 0.95 GBA2 (0.35) GBA2CYP4F2CYP4A11MEN1THRB
SCHEMBL19420786 0.95 GBA2 (0.38) GBA2CYP4F2CYP4A11MEN1THRB
SCHEMBL19420774 0.95 GBA2 (0.32) GBA2CYP4F2CYP4A11
SCHEMBL20201542 0.95 GBA2 (0.37) GBA2CYP4F2CYP4A11CES1
SCHEMBL19420779 0.93 GBA2 (0.37) GBA2MEN1THRBHTTKMT2A
SCHEMBL19420766 0.93 GBA2 (0.37) GBA2CYP4F2CYP4A11MEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10946017-B2 Tank-binding kinase-1 PROTACs and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-03-16 US disclosed
US-20190192514-A1 TANK-BINDING KINASE-1 PROTACs AND ASSOCIATED METHODS OF USE Arvinas, Inc. 2019-06-27 US disclosed
US-20180147202-A1 TANK-BINDING KINASE-1 PROTACs AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-05-31 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 (3 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-20180147202-A1 TANK-BINDING KINASE-1 PROTACs AND ASSOCIATED METHODS OF USE TBK1, TBKBP1, TNKS GBA2 3916/4885CYP4F2 4782/4885CYP4A11 4479/4885
US-10946017-B2 Tank-binding kinase-1 PROTACs and associated methods of use TBK1, TNKS, TBKBP1 GBA2 3759/4885CYP4F2 4806/4885CYP4A11 4418/4885
US-20190192514-A1 TANK-BINDING KINASE-1 PROTACs AND ASSOCIATED METHODS OF USE TBK1, TNKS, TBKBP1 GBA2 3759/4885CYP4F2 4806/4885CYP4A11 4418/4885

“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.