SCHEMBL313265

SCHEMBL313265

COC(=O)C(=O)CCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.61
HDAC2 Q92769 5/20 0.58
HDAC1 Q13547 4/20 0.58
HDAC3 O15379 3/20 0.58
HDAC4 P56524 3/20 0.58
HDAC7 Q8WUI4 3/20 0.58
HDAC10 Q969S8 3/20 0.58
HDAC11 Q96DB2 3/20 0.58
HDAC8 Q9BY41 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
HDAC9 Q9UKV0 3/20 0.58
HDAC5 Q9UQL6 3/20 0.58
MMP12 P39900 2/20 0.58
FFAR4 Q5NUL3 1/20 0.51
PLAAT5 Q96KN8 3/20 0.50
PLAAT4 Q9UL19 3/20 0.50
PLAAT3 P53816 2/20 0.50
PLAAT2 Q9NWW9 2/20 0.50
LTB4R Q15722 1/20 0.49
NAAA Q02083 1/20 0.49

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
SCHEMBL991969 0.90 ALDH1A1 (0.57) FFAR1HDAC2HDAC1HDAC3HDAC4
SCHEMBL10197486 0.83 LMNA (0.58) FFAR1HDAC2HDAC1HDAC3HDAC4
SCHEMBL4827768 0.83 FFAR1 (0.65) FFAR1HDAC2HDAC1MMP12FFAR4
SCHEMBL480043 0.83 FFAR1 (0.65) FFAR1HDAC2HDAC1MMP12FFAR4
SCHEMBL28742807 0.80 FFAR1 (0.71) FFAR1HDAC2HDAC1HDAC3HDAC4
SCHEMBL7640251 0.79 PLAAT3 (0.58) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL7060526 0.79 PLAAT3 (0.61) FFAR1HDAC2HDAC1HDAC3HDAC4
SCHEMBL7060208 0.79 F2RL1 (0.69) FFAR1PLAAT5PLAAT4PLAAT3PLAAT2
SCHEMBL7061791 0.79 PLAAT3 (0.53) FFAR1FFAR4PLAAT5PLAAT4PLAAT3
SCHEMBL20897266 0.78 KEAP1 (0.55) FFAR1HDAC2HDAC1HDAC8HDAC6

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 FFAR1 1407/4885HDAC2 3501/4885HDAC1 3642/4885

“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.