SCHEMBL10001142

SCHEMBL10001142

CCCCc1ccc(C(=O)C(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.59
PLK1 P53350 1/20 0.59
THRA P10827 8/20 0.57
THRB P10828 8/20 0.57
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RARA P10276 1/20 0.51
MAPT P10636 1/20 0.51
MTOR P42345 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL11664614 0.95 RARB (0.60) RARBTHRATHRBALDH1A1MEN1
SCHEMBL13246796 0.93 THRA (0.61) RARBTHRATHRBALDH1A1MEN1
SCHEMBL13246795 0.93 THRA (0.61) RARBTHRATHRBALDH1A1MEN1
SCHEMBL13246797 0.93 THRA (0.61) RARBTHRATHRBALDH1A1MEN1
SCHEMBL13543227 0.89 PLK1 (0.56) RARBPLK1THRATHRBALDH1A1
SCHEMBL195630 0.87 RARB (0.57) RARBPLK1THRATHRBALDH1A1
SCHEMBL10458156 0.86 RARB (0.56) RARBPLK1THRATHRBALDH1A1
SCHEMBL25867921 0.85 CYP4A11 (0.59) RARBPLK1THRATHRBHSD17B10
SCHEMBL81096 0.84 RARB (0.57) RARBPLK1THRATHRBALDH1A1
SCHEMBL3266774 0.84 MLYCD (0.58) RARBPLK1THRATHRBALDH1A1

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 RARB 2316/4885PLK1 2314/4885THRA 3975/4885

“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.