SCHEMBL22692186

SCHEMBL22692186

CC(C)c1ccc(C#CC#CCO)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 6/20 0.42
▸ FFAR1 O14842 1/20 0.37
▸ KCNH2 Q12809 1/20 0.35
▸ MMP2 P08253 2/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ MELK Q14680 1/20 0.33
▸ USP5 P45974 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ ADK P55263 1/20 0.32
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 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
SCHEMBL8112207 0.86 ACACB (0.45) ACACBFFAR1MMP2MMP12HTT
SCHEMBL20717669 0.79 APP (0.52) MMP2MMP12MELK
SCHEMBL25053676 0.75 ACACB (0.36) ACACBKCNH2GRM5IDO1
SCHEMBL8141103 0.75 ACACB (0.50) ACACBFFAR1HTTTYRIDO1
SCHEMBL7377156 0.74 APP (0.48) FFAR1MMP2MMP12HTT
SCHEMBL21214847 0.73 GRM5 (0.34) ACACBKCNH2GRM5IDO1
SCHEMBL18383728 0.72 ACACB (0.39) ACACBFFAR1HTTRAB9ATYR
SCHEMBL9487985 0.72 LMNA (0.46) FFAR1MMP2MMP12HTT
SCHEMBL21449243 0.72 ACACB (0.42) ACACBFFAR1KCNH2GRM5TYR
SCHEMBL7038630 0.71 CYP2C19 (0.54) ACACBFFAR1HTTGRM5IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844021-B2 Compounds and methods for the targeted degradation of androgen receptor ARVINAS OPERATIONS, INC. (US) 2020-11-24 — — 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 (1 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-10844021-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN ACACB 1442/4885FFAR1 1591/4885KCNH2 4867/4885

“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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