SCHEMBL10001206

SCHEMBL10001206

CCCCC(Br)C(=O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.50
PPARD Q03181 1/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.50
ZDHHC2 Q9UIJ5 1/20 0.50
ZDHHC7 Q9NXF8 2/20 0.46
CA2 P00918 8/20 0.43
MAPK1 P28482 1/20 0.43
CA1 P00915 4/20 0.42
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
FDPS P14324 1/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GPR84 Q9NQS5 2/20 0.33

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
SCHEMBL10001215 0.92 LCK (0.62) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL8463182 0.77 CA2 (0.46) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL1778121 0.77 ALDH1A1 (0.39) LCKPPARDZDHHC20ZDHHC2CA2
SCHEMBL8997427 0.77 LCK (0.58) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL14519745 0.76 CA1 (0.48) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL10001196 0.76 CA2 (0.61) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL931024 0.75
SCHEMBL140785 0.75
SCHEMBL5615305 0.75
SCHEMBL1449048 0.75

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-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 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-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 LCK 3178/4885PPARD 2530/4885ZDHHC20 1130/4885

“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.