SCHEMBL6441201

SCHEMBL6441201

CSc1ccc(C(O)(c2ccc(CCC(=O)OCC(C)(CO)CO)cc2)c2ccc(SC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
EPHX2 P34913 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
HTT P42858 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
CYP4Z1 Q86W10 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
APP P05067 2/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL13940078 0.94 CYP4F2 (0.41) CYP4F2CYP4A11EPHX2NR1H4HTT
SCHEMBL13939360 0.84 MAPT (0.47) CYP4F2CYP4A11FFAR1TDP1LMNA
SCHEMBL13939980 0.79 MAPT (0.45) CYP4F2CYP4A11FFAR1TDP1LMNA
SCHEMBL6441205 0.77 CYP4F2 (0.40) CYP4F2CYP4A11EPHX2TDP1CYP4Z1
SCHEMBL6437743 0.76 FFAR1 (0.49) EPHX2NR1H4FFAR1FFAR4MMP12
SCHEMBL24931511 0.73 CYP4F2 (0.68) CYP4F2CYP4A11EPHX2TDP1CYP4Z1
SCHEMBL13939427 0.73 EPHX2 (0.35) CYP4F2CYP4A11EPHX2NR1H4FFAR1
SCHEMBL16661844 0.71 TDP1 (0.53) CYP4F2CYP4A11FFAR1FFAR4TDP1
SCHEMBL13940077 0.70 SLC6A4 (0.45) EPHX2NR1H4HTTMMP12MMP13
SCHEMBL835726 0.70 CYP4F2 (0.47) CYP4F2CYP4A11EPHX2HTTFFAR1

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 CYP4F2 542/4885CYP4A11 2119/4885EPHX2 1027/4885

“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.