SCHEMBL18591869

SCHEMBL18591869

CC(C)c1ccc(C#CCOCCCOCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 9/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PTPN11 Q06124 1/20 0.35
▸ MMP2 P08253 1/20 0.32
▸ MMP12 P39900 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CNR1 P21554 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
SCHEMBL18551106 0.87 ACACB (0.42) ACACBPTPN11
SCHEMBL18591870 0.84 ACACB (0.40) ACACBNPC1ALDH1A1RAB9AMMP2
SCHEMBL18591858 0.82 KMT2A (0.43) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL20325131 0.79 GRM5 (0.35) ACACBKMT2A
SCHEMBL18611921 0.78 ACACB (0.42) ACACBPTPN11
SCHEMBL22964321 0.77 GRM5 (0.37) ACACBRAB9AMMP2MMP12KMT2A
SCHEMBL18591871 0.76 RAB9A (0.40) NPC1ALDH1A1RAB9AKMT2ACNR1
SCHEMBL21214839 0.76 GRM5 (0.36) ACACBMMP2MMP12KMT2A
SCHEMBL22047351 0.73 ACACB (0.41) ACACB
SCHEMBL25906295 0.73 ACACB (0.42) ACACBMMP2MMP12

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-20170065719-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS ARVINAS OPERATIONS, INC. 2017-03-09 — — 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-20230263893-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, STUB1, BRDT ACACB 1374/4885NPC1 2682/4885ALDH1A1 3365/4885
US-20170065719-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, STUB1, BRDT ACACB 1374/4885NPC1 2682/4885ALDH1A1 3365/4885

“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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