SCHEMBL4515340

SCHEMBL4515340

O=C(O)CCc1ccc(O)c(NC(=O)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.60
KCNMA1 Q12791 2/20 0.60
CCR5 P51681 1/20 0.60
HDAC2 Q92769 1/20 0.60
GAA P10253 1/20 0.56
HPSE Q9Y251 1/20 0.56
PPARG P37231 1/20 0.52
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
LTC4S Q16873 1/20 0.50

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
SCHEMBL4513447 0.80 KDM4E (0.54) HDAC1GAAHPSEALOX15MAPK1
SCHEMBL1232960 0.78 NR1H4 (0.71) HDAC1CCR5PPARG
SCHEMBL2380752 0.78 HDAC1 (0.71) HDAC1KCNMA1HDAC2GAAMAPK1
SCHEMBL5178629 0.77 HDAC1 (0.69) HDAC1KCNMA1HDAC2GAAMAPK1
SCHEMBL7817331 0.76 HDAC1 (0.69) HDAC1KCNMA1HDAC2GAA
SCHEMBL13290711 0.76 LMNA (0.64) KCNMA1GAAPPARGALOX15MAPK1
SCHEMBL11247792 0.76 KDM5A (0.55) ALOX15MAPK1
SCHEMBL2639160 0.76 FFAR1 (0.51) CCR5GAAPPARG
SCHEMBL12510751 0.76 HDAC1 (0.67) HDAC1KCNMA1HDAC2GAAMAPK1
SCHEMBL14476825 0.75 KCNMA1 (1.00) HDAC1KCNMA1HDAC2GAA

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-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2009-12-24 US disclosed
US-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2009-12-24 US disclosed
WO-2008022462-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2008-02-28 WO 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-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME CBR3, XDH, NQO2 HDAC1 3374/4885KCNMA1 4191/4885CCR5 767/4885

“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.