SCHEMBL1709341

SCHEMBL1709341

CC[C@@H](Cc1ccccc1)C(=O)C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
PPARG P37231 3/20 0.52
CPA1 P15085 5/20 0.49
CPA3 P15088 3/20 0.49
FOLH1 Q04609 2/20 0.49
CPB1 P15086 1/20 0.49
CPB2 Q96IY4 1/20 0.49
EPHX2 P34913 1/20 0.48
MAPT P10636 1/20 0.48
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
TRPA1 O75762 1/20 0.44
CYP24A1 Q07973 1/20 0.44

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
SCHEMBL19483359 0.86 CYP1A2 (0.55) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL19483390 0.86 CYP1A2 (0.55) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL1709335 0.84 ESR1 (0.47) CYP1A2PPARGEPHX2MAPT
SCHEMBL1709306 0.81 HTR2A (0.47) CYP1A2CPA1
SCHEMBL265514 0.81 CYP1A2 (0.83) CYP1A2PPARGCPA1CPA3FOLH1
SCHEMBL265063 0.81 CYP1A2 (0.83) CYP1A2PPARGCPA1CPA3FOLH1
SCHEMBL4886609 0.81 CYP1A2 (0.69) CYP1A2PPARGCPA1CPA3FOLH1
SCHEMBL491524 0.81 CYP1A2 (0.83) CYP1A2PPARGCPA1CPA3FOLH1
SCHEMBL1703264 0.80 MAPT (0.49) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL1706267 0.80 MAPT (0.49) CYP1A2CPA1CPA3FOLH1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO CYP1A2 3371/4885PPARG 773/4885CPA1 1153/4885

“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.