SCHEMBL21471688

SCHEMBL21471688

C[C@H](CNCC(C)(C)C)Oc1ccc2oc(C(C)(C)C)cc2c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 9/20 0.34
TAS1R1 Q7RTX1 9/20 0.34
ADAM17 P78536 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
STS P08842 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
CA2 P00918 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 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
SCHEMBL20330460 0.86 TAS1R3 (0.36) TAS1R3TAS1R1ADAM17HDAC6STS
SCHEMBL19959020 0.85 TAS1R3 (0.37) TAS1R3TAS1R1ADAM17HDAC6STS
SCHEMBL18592215 0.85 TAS1R3 (0.37) TAS1R3TAS1R1ADAM17HDAC6STS
SCHEMBL24788343 0.78 MAOB (0.41) MAOAMAOBLMNACA2MKNK1
SCHEMBL20235057 0.77 TAS1R3 (0.32) TAS1R3TAS1R1ADAM17LMNAGAA
SCHEMBL18611448 0.75 KLK7 (0.34) MAOAMAOBLMNAGAATSHR
SCHEMBL22692183 0.72 MAOB (0.34) MAOAMAOBLMNA
SCHEMBL21341711 0.71 MTNR1A (0.42) LMNAGAAMTNR1AMTNR1B
SCHEMBL13923568 0.71 CYP2A6 (0.53) MAOBGAACA2
SCHEMBL20324200 0.70 TAS1R3 (0.39) TAS1R3TAS1R1ADAM17MAOBGAA

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-11161841-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-11-02 US disclosed
US-20210171470-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2021-06-10 US disclosed
US-20210040044-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. 2021-02-11 US disclosed
US-10844021-B2 Compounds and methods for the targeted degradation of androgen receptor ARVINAS OPERATIONS, INC. (US) 2020-11-24 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 (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-20210040044-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN TAS1R3 4616/4885TAS1R1 4637/4885ADAM17 1448/4885
US-20210171470-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN TAS1R3 4616/4885TAS1R1 4637/4885ADAM17 1448/4885
US-10844021-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN TAS1R3 4616/4885TAS1R1 4637/4885ADAM17 1448/4885
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL TAS1R3 4807/4885TAS1R1 4779/4885ADAM17 602/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL TAS1R3 4807/4885TAS1R1 4779/4885ADAM17 602/4885

“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.