SCHEMBL21025882

SCHEMBL21025882

CNc1cccc(Oc2ccc(COCC(=O)C(C)C)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.45
MTNR1B P49286 3/20 0.43
FFAR1 O14842 7/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
NPY5R Q15761 1/20 0.41
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
MTNR1A P48039 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
ACACA Q13085 2/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL18592249 0.89 MTNR1B (0.42) MTNR1BFFAR1LMNAMAPTHPGD
SCHEMBL20133414 0.88 FFAR1 (0.43) MTNR1BFFAR1LMNAMAPTHPGD
SCHEMBL20046804 0.87 MTNR1B (0.40) MTNR1BFFAR1LMNAMAPTHPGD
SCHEMBL20443233 0.87 MTNR1B (0.40) MTNR1BFFAR1LMNAMAPTHPGD
SCHEMBL18611548 0.86 APP (0.48) APPMTNR1BFFAR1LMNAMAPT
SCHEMBL23664604 0.85 FFAR1 (0.39) MTNR1BFFAR1LMNAMAPTHPGD
SCHEMBL29329340 0.85 NPY5R (0.40) MTNR1BFFAR1LMNAMAPTHPGD
SCHEMBL23350264 0.84 APP (0.46) APPMTNR1BFFAR1LMNAMAPT
SCHEMBL19598480 0.83 PPARG (0.48) FFAR1NPY5RALDH1A1
SCHEMBL19978009 0.79 APP (0.54) APPMTNR1BLMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2021-07-20 US disclosed
US-20210139458-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2021-05-13 US disclosed
US-20200155689-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2020-05-21 US disclosed
US-20200121684-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE UNIV YALE (US) 2020-04-23 US disclosed
US-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES ARVINAS OPERATIONS, INC. 2019-05-23 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 (5 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-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 APP 865/4885MTNR1B 1818/4885FFAR1 3121/4885
US-20200121684-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE BTK, CBL, CRBN APP 1477/4885MTNR1B 2958/4885FFAR1 4763/4885
US-20210139458-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS MDM2, CRBN, VHL APP 432/4885MTNR1B 582/4885FFAR1 3895/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 APP 865/4885MTNR1B 1818/4885FFAR1 3121/4885
US-20200155689-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 APP 1314/4885MTNR1B 2021/4885FFAR1 4797/4885

“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.