SCHEMBL21472797

SCHEMBL21472797

CC(COc1cccc(OC2CC(OC(C)(C)C)C2)c1)CC(C)COC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
FFAR1 O14842 8/20 0.34
LNPEP Q9UIQ6 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
ACACB O00763 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 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
SCHEMBL20128759 0.79 SLC6A4 (0.38) SLC6A2SLC6A4SLC6A3GRIN1GRIN2B
SCHEMBL20325449 0.79 TP53 (0.46) SLC6A2SLC6A4SLC6A3FFAR1ACACB
SCHEMBL20233788 0.78 FFAR1 (0.40) SLC6A2SLC6A4SLC6A3GRIN1GRIN2B
SCHEMBL29343552 0.76 LNPEP (0.37) FFAR1LNPEP
SCHEMBL21208066 0.76 FFAR1 (0.41) SLC6A2SLC6A4SLC6A3GRIN1GRIN2B
SCHEMBL23651501 0.72 ACACB (0.32) ACACB
SCHEMBL20233795 0.71 ACACB (0.32) SLC6A2SLC6A4FFAR1ACACB
SCHEMBL21341622 0.68 ACACB (0.41) SLC6A2SLC6A4SLC6A3GRIN1GRIN2B
SCHEMBL20234603 0.65 LNPEP (0.36) FFAR1LNPEPACACB
SCHEMBL24021874 0.64 ALDH1A1 (0.47) TSHRMAPK1

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-11161841-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-11-02 US disclosed
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2019-10-17 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-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL SLC6A2 4502/4885SLC6A4 4520/4885SLC6A3 4330/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL SLC6A2 4502/4885SLC6A4 4520/4885SLC6A3 4330/4885

“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.