SCHEMBL25053676

SCHEMBL25053676

CC(C)COCC#CC#Cc1ccc(C(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 5/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ IDO1 P14902 2/20 0.32
▸ KCNH2 Q12809 2/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL21214847 0.82 GRM5 (0.34) ACACBGRM5ALOX5IDO1KCNH2
SCHEMBL21214839 0.79 GRM5 (0.36) ACACBGRM5ALOX5IDO1KCNH2
SCHEMBL22692186 0.75 ACACB (0.42) ACACBGRM5IDO1KCNH2
SCHEMBL18551308 0.72 ACACB (0.40) ACACB
SCHEMBL19316732 0.71 HTR2A (0.50) KCNH2MEN1KMT2A
SCHEMBL18551220 0.71 ACACB (0.34) ACACB
SCHEMBL19977461 0.71 ACACB (0.39) ACACB
SCHEMBL26748745 0.71 ACACB (0.39) ACACB
SCHEMBL30229884 0.70 ADRB2 (0.36) ACACB
SCHEMBL19036905 0.69 GRM5 (0.43) ACACBGRM5IDO1KCNH2

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-20230263893-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS ARVINAS OPERATIONS, INC. 2023-08-24 — — US disclosed
US-11584743-B2 Indole derivatives as estrogen receptor degraders ARVINAS OPERATIONS, INC. (US) 2023-02-21 — — 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-11584743-B2 Indole derivatives as estrogen receptor degraders ESR1, GPER1, ESR2 ACACB 3425/4885GRM5 479/4885ALOX5 1041/4885
US-20230263893-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, STUB1, BRDT ACACB 1374/4885GRM5 2711/4885ALOX5 4751/4885

“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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