SCHEMBL2846997

SCHEMBL2846997

Cc1cc(C)c(C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.38
LIPE Q05469 3/20 0.33
AAK1 Q2M2I8 2/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
UCHL1 P09936 1/20 0.32
AR P10275 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
DGAT1 O75907 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
SCHEMBL1918526 0.84 UCHL1 (0.36) LIPEUCHL1DGAT1
SCHEMBL4161409 0.82 GABRA1 (0.38) USP30LIPEAAK1BACE1BACE2
SCHEMBL2362943 0.80 AAK1 (0.45) USP30AAK1BACE1BACE2PRMT5
SCHEMBL5841748 0.80 AAK1 (0.37) USP30LIPEAAK1BACE1BACE2
SCHEMBL12942090 0.79 GABRP (0.34) LIPEUCHL1GABRA1GABRG2GABRB3
SCHEMBL20519911 0.78 NNMT (0.37) LIPEUCHL1
SCHEMBL24770148 0.77 USP30 (0.41) USP30LIPEAAK1BACE1BACE2
SCHEMBL31032180 0.77 USP30 (0.41) USP30LIPEAAK1BACE1BACE2
SCHEMBL6240652 0.77 LIPE (0.37) USP30LIPEAAK1PRMT5WDR77
SCHEMBL31689032 0.77 LIPE (0.37) USP30LIPEAAK1PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362236-B2 Macrocyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-01-29 US disclosed
US-8362236-B2 Macrocyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-01-29 US disclosed
US-8362236-B2 Macrocyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-01-29 US disclosed
EP-2119718-B1 MACROCYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-04-11 EP disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
EP-2119718-A1 MACROCYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2009-11-18 EP 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-20100056510-A1 Macrocyclic Compound HSP90AB1, HSP90B1, HSP90AA1 USP30 1250/4885LIPE 2911/4885AAK1 2781/4885

“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.