SCHEMBL17274751

SCHEMBL17274751

CCOC(=O)CCCCCCCc1cccc(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
PPARA Q07869 3/20 0.63
PPARG P37231 2/20 0.63
MTNR1A P48039 2/20 0.55
MTNR1B P49286 2/20 0.55
EPHX2 P34913 2/20 0.53
BCHE P06276 1/20 0.50
ACHE P22303 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
SCHEMBL1206811 0.99 HDAC1 (0.64) HDAC1HDAC6PPARAPPARGMTNR1A
SCHEMBL1856638 0.94 PPARA (0.59) HDAC1HDAC6PPARAPPARGMTNR1A
SCHEMBL1802183 0.89 ALDH1A1 (0.56) HDAC1HDAC6PPARAPPARGMTNR1A
SCHEMBL3145595 0.87 HDAC1 (0.75) HDAC1HDAC6MTNR1AMTNR1BEPHX2
SCHEMBL28189232 0.87 HDAC1 (0.60) HDAC1HDAC6PPARAPPARGMTNR1A
SCHEMBL4249861 0.87 PPARA (0.51) HDAC1HDAC6PPARAPPARGMTNR1A
SCHEMBL17274778 0.87 PPARA (0.83) HDAC1HDAC6PPARAPPARG
SCHEMBL5276845 0.86 CNR1 (0.50) HDAC1HDAC6PPARAPPARG
SCHEMBL12698686 0.86 HDAC1 (0.72) HDAC1HDAC6MTNR1AMTNR1BEPHX2
SCHEMBL765019 0.85 PPARA (0.56) HDAC1HDAC6PPARAPPARG

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121268-A1 PPAR MODULATORS ROMEIRO LUIZ ANTONIO SOARES (BR) 2017-05-04 US disclosed
US-20170121268-A1 PPAR MODULATORS ROMEIRO LUIZ ANTONIO SOARES (BR) 2017-05-04 US disclosed
US-20170121268-A1 PPAR MODULATORS ROMEIRO LUIZ ANTONIO SOARES (BR) 2017-05-04 US disclosed
WO-2015176153-A1 PPAR MODULATORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2015-11-26 WO disclosed
WO-2015176153-A1 PPAR MODULATORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2015-11-26 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-20170121268-A1 PPAR MODULATORS GPR119, FABP2, HDLBP HDAC1 2184/4885HDAC6 2051/4885PPARA 8/4885

“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.