SCHEMBL1703013

SCHEMBL1703013

CC(C)(C)Oc1ccc(C[C@@H](C(=O)C(C)(C)C)C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.48
PPARA Q07869 4/20 0.41
PPARG P37231 2/20 0.41
ELANE P08246 1/20 0.39
LDHA P00338 1/20 0.39
PTPN1 P18031 1/20 0.38
ABCB1 P08183 1/20 0.37
CNR1 P21554 5/20 0.37
CNR2 P34972 4/20 0.37
CTSL P07711 1/20 0.36
CTSK P43235 1/20 0.36
EPHX2 P34913 1/20 0.36
MAPT P10636 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL20363252 0.86 ACACB (0.52) ACACBPPARAPPARGELANELDHA
SCHEMBL10272345 0.83 ACACB (0.47) ACACBPPARAPPARGELANELDHA
SCHEMBL20363241 0.83 ACACB (0.50) ACACBPPARAPPARGELANELDHA
SCHEMBL1709313 0.83 PPARG (0.48) ACACBPPARAPPARGELANELDHA
SCHEMBL20363264 0.83 ACACB (0.52) ACACBPPARAPPARGELANELDHA
SCHEMBL1704939 0.80 ESR1 (0.46) MAPT
SCHEMBL27420078 0.79 ACACB (0.49) ACACBPPARAPPARGELANELDHA
SCHEMBL20363236 0.79 PPARG (0.39) PPARAPPARGLDHAMAPT
SCHEMBL1706267 0.78 MAPT (0.49) MAPT
SCHEMBL1703264 0.78 MAPT (0.49) MAPT

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 6 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
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 ACACB 3496/4885PPARA 766/4885PPARG 773/4885
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO ACACB 3496/4885PPARA 766/4885PPARG 773/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO ACACB 3496/4885PPARA 766/4885PPARG 773/4885

“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.