SCHEMBL20046812

SCHEMBL20046812

CC(C)C[C@@H](C)NC(=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ACACB O00763 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
RNPEP Q9H4A4 1/20 0.36
SLC7A5 Q01650 1/20 0.36
KISS1R Q969F8 3/20 0.35
MAPT P10636 1/20 0.35
MME P08473 3/20 0.35
CNR2 P34972 1/20 0.34
FOLH1 Q04609 1/20 0.33

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
SCHEMBL12676486 1.00 MLYCD (0.41) MLYCDALDH1A1ACACBMEN1LMNA
SCHEMBL22387540 0.90 ACACB (0.37) MLYCDALDH1A1ACACBMEN1LMNA
SCHEMBL19700945 0.81 ACACB (0.33) ACACBCNR2
SCHEMBL17152494 0.79 SLC7A5 (0.52) MLYCDALDH1A1RNPEPSLC7A5
SCHEMBL16351261 0.79 ALDH1A1 (0.50) MLYCDALDH1A1MEN1LMNAKMT2A
SCHEMBL10311688 0.77 CNR1 (0.41) ALDH1A1ACACBMMECNR2
SCHEMBL11527770 0.77 MMP1 (0.52) ALDH1A1ACACBMEN1KMT2ACNR2
SCHEMBL8150869 0.77 ALDH1A1 (0.58) MLYCDALDH1A1ACACBMEN1LMNA
SCHEMBL8459221 0.77 CNR1 (0.41) ALDH1A1ACACBMMECNR2
SCHEMBL8365133 0.77 ALDH1A1 (0.58) MLYCDALDH1A1ACACBMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2023-06-15 US disclosed
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2023-06-15 US disclosed
US-20200155689-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2020-05-21 US disclosed
US-20200155690-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2020-05-21 US disclosed
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2019-05-23 US disclosed
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2018-08-02 US disclosed
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2018-08-02 US disclosed
US-20180099940-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2018-04-12 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 (6 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-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 MLYCD 2247/4885ALDH1A1 3671/4885ACACB 2983/4885
US-20180099940-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN MLYCD 964/4885ALDH1A1 824/4885ACACB 1442/4885
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF MALT1, MYLK2, FKBP1B MLYCD 1093/4885ALDH1A1 2805/4885ACACB 2055/4885
US-20200155690-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 MLYCD 2247/4885ALDH1A1 3671/4885ACACB 2983/4885
US-20200155689-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 MLYCD 2247/4885ALDH1A1 3671/4885ACACB 2983/4885
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 MLYCD 2247/4885ALDH1A1 3671/4885ACACB 2983/4885

“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.