SCHEMBL10001170

SCHEMBL10001170

Cc1ccc(C(=O)C(C)(C)C)c(Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.47
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
ACLY P53396 1/20 0.35
DHODH Q02127 2/20 0.35
PARP1 P09874 1/20 0.34
KMT2A Q03164 3/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
SORT1 Q99523 1/20 0.33
MEN1 O00255 1/20 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
SCHEMBL24198728 0.83 XPO1 (0.37) EGFRALDH1A1MAPK1SMN1; SMN2KMT2A
SCHEMBL24198798 0.80 EGFR (0.41) EGFRALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL16722807 0.79 PARP1 (0.35) EGFRALDH1A1MAPK1PARP1KMT2A
SCHEMBL921287 0.79 EGFR (0.54) EGFRALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL400674 0.79 EGFR (0.54) EGFRALDH1A1MAPK1SMN1; SMN2ACLY
SCHEMBL846877 0.79 EGFR (0.50) EGFRALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL23345398 0.77 EGFR (0.43) EGFRALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL24198800 0.77 GAA (0.40) EGFRLMNA
SCHEMBL17448850 0.77 POLB (0.47) ALDH1A1MAPK1SMN1; SMN2POLBKMT2A
Hydrochloric Acid SCHEMBL921288 0.77 EGFR (0.53) EGFRALDH1A1MAPK1SMN1; SMN2ACLY

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 3 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
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 EGFR 323/4885ALDH1A1 48/4885MAPK1 3176/4885

“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.