SCHEMBL22964321

SCHEMBL22964321

CC(C)c1ccc(C#CCOCCCO)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.37
▸ ACACB O00763 6/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ APP P05067 2/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ SLC6A4 P31645 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HRH3 Q9Y5N1 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
SCHEMBL21214839 0.84 GRM5 (0.36) GRM5ACACBALOX5KCNH2HTR2A
SCHEMBL18591870 0.82 ACACB (0.40) ACACBRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL20325131 0.81 GRM5 (0.35) GRM5ACACBALOX5KCNH2HTR2A
SCHEMBL25906295 0.77 ACACB (0.42) GRM5ACACBALOX5MMP2MMP12
SCHEMBL18591869 0.77 ACACB (0.37) ACACBRAB9AKMT2AMMP2MMP12
SCHEMBL9763745 0.77 APP (0.48) RAB9AKCNH2APPHTR2AHTR2C
SCHEMBL19036905 0.75 GRM5 (0.43) GRM5ACACBKCNH2HTR2ASMN1; SMN2
SCHEMBL8112207 0.75 ACACB (0.45) GRM5ACACBRAB9AHTR2AMMP2
SCHEMBL16021729 0.73 KMT2A (0.56) RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL20324201 0.71 ACACB (0.39) ACACB

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-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

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-20210040044-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN GRM5 630/4885ACACB 1442/4885ALOX5 4022/4885
US-20210171470-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN GRM5 630/4885ACACB 1442/4885ALOX5 4022/4885

“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.

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