SCHEMBL4518366

SCHEMBL4518366

O=C(O)COc1ccc(C=CCCCOc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.57
ALOX15 P16050 1/20 0.57
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYSLTR1 Q9Y271 1/20 0.51
S1PR1 P21453 3/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
S1PR3 Q99500 2/20 0.50
LTB4R Q15722 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.49
PPARD Q03181 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 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
SCHEMBL4518363 1.00 PPARA (0.57) PPARAALOX15MEN1KMT2ACYSLTR1
SCHEMBL13918254 0.87 PTGS2 (0.58) PPARAMEN1KMT2AS1PR1S1PR3
SCHEMBL4530643 0.84 SMN1; SMN2 (0.52) PPARAKMT2AHDAC1HDAC2PPARD
SCHEMBL4530640 0.84 SMN1; SMN2 (0.52) PPARAKMT2AHDAC1HDAC2PPARD
SCHEMBL4530636 0.84 SMN1; SMN2 (0.52) PPARAKMT2AHDAC1HDAC2PPARD
SCHEMBL4513918 0.84 ALDH1A1 (0.59) PPARAS1PR1HDAC1HDAC2S1PR3
SCHEMBL4513923 0.84 ALDH1A1 (0.59) PPARAS1PR1HDAC1HDAC2S1PR3
SCHEMBL4524708 0.84 ALDH1A1 (0.59) PPARAS1PR1HDAC1HDAC2S1PR3
SCHEMBL9654938 0.83 MEN1 (0.52) PPARAALOX15MEN1KMT2AS1PR1
SCHEMBL4508132 0.82 PPARA (0.48) PPARAS1PR1HDAC1HDAC2S1PR3

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-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-20060154912-A1 Isophtalic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 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-20060154912-A1 Isophtalic acid derivatives VHL, FABP3, CPT1A PPARA 42/4885ALOX15 249/4885MEN1 3208/4885

“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.