SCHEMBL6438671

SCHEMBL6438671

COc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OCCCCCC(=O)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.57
FFAR1 O14842 3/20 0.57
PPARG P37231 1/20 0.57
PPARD Q03181 1/20 0.57
LTB4R Q15722 1/20 0.51
PLA2G4B P0C869 4/20 0.50
PDE4B Q07343 1/20 0.50
ALB P02768 1/20 0.49
MAPT P10636 1/20 0.48
FFAR4 Q5NUL3 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL6437472 0.96 PPARA (0.55) PPARAFFAR1PPARGPPARDLTB4R
SCHEMBL6438739 0.94 PDE4B (0.53) PPARAFFAR1PPARGPPARDPLA2G4B
SCHEMBL6439692 0.94 PDE4B (0.53) PPARAFFAR1PPARGPPARDPLA2G4B
SCHEMBL8483507 0.89 PPARA (0.68) PPARAFFAR1PPARGPPARDLTB4R
SCHEMBL1801957 0.89 PPARA (0.68) PPARAFFAR1PPARGPPARDLTB4R
SCHEMBL4298103 0.89 PPARA (0.68) PPARAFFAR1PPARGPPARDLTB4R
SCHEMBL15176983 0.88 PPARA (0.65) PPARAFFAR1PPARGPPARDLTB4R
SCHEMBL6437129 0.88 PPARA (0.58) PPARAFFAR1PPARGPPARDPDE4B
SCHEMBL6439325 0.87 PPARA (0.56) PPARAFFAR1PPARGPPARDLTB4R
SCHEMBL6438767 0.85 HDAC1 (0.48) PPARAFFAR1PPARGPPARDPDE4B

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-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-01-22 US disclosed
US-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-01-22 US disclosed
EP-1506959-A2 Derivatised molecules for mass spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2005-02-16 EP 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-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry F3, TBCA, GYPA PPARA 3452/4885FFAR1 4717/4885PPARG 3709/4885

“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.