SCHEMBL1703307

SCHEMBL1703307

CC(C)(C)C(=O)[C@H](Cc1cccc2ccccc12)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.50
TDP1 Q9NUW8 1/20 0.46
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
MMP9 P14780 2/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACP3 P15309 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 1/20 0.41
MTNR1A P48039 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL1706739 1.00 CTNNB1 (0.50) CTNNB1TDP1MMEACECPA1
SCHEMBL1709303 0.84 CTNNB1 (0.49) CTNNB1TDP1MMEACECPA1
SCHEMBL20363277 0.83 CTNNB1 (0.51) CTNNB1TDP1MMEACECPA1
SCHEMBL6446064 0.82 CTNNB1 (0.50) CTNNB1TDP1MMEACECPA1
SCHEMBL10506039 0.81 CTNNB1 (0.50) CTNNB1TDP1MMEACECPA1
SCHEMBL13575223 0.81 CTSS (0.51) CTNNB1TDP1MMP9CTSSCTSK
SCHEMBL13575229 0.81 MME (0.47) CTNNB1TDP1MMEACECPA1
SCHEMBL6447935 0.79 CTNNB1 (0.48) CTNNB1TDP1MMEACECPA1
SCHEMBL7297112 0.79 CTNNB1 (0.48) CTNNB1TDP1MMEACECPA1
SCHEMBL20849986 0.78 MME (0.50) CTNNB1TDP1MMEACECPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
US-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO Prism BioLab Co., Ltd. (JP) 2015-12-24 US disclosed
US-9040531-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2015-05-26 US disclosed
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 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 (3 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-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO CTNNB1 450/4885TDP1 1621/4885MME 2640/4885
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO CTNNB1 450/4885TDP1 1621/4885MME 2640/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO CTNNB1 450/4885TDP1 1621/4885MME 2640/4885

“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.