SCHEMBL6029

SCHEMBL6029

OCCc1ccc(COc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.71
CYP4A11 Q02928 1/20 0.71
LTA4H P09960 1/20 0.71
EPHX2 P34913 1/20 0.71
FFAR1 O14842 5/20 0.66
APP P05067 1/20 0.60
FFAR4 Q5NUL3 2/20 0.59
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
PTGS1 P23219 1/20 0.57
SLC6A2 P23975 1/20 0.57
CYP2C19 P33261 1/20 0.57
PTGS2 P35354 1/20 0.57
SLC6A3 Q01959 1/20 0.57
HIF1A Q16665 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
ALDH1A1 P00352 2/20 0.53
BCHE P06276 2/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL5700 0.94 LTA4H (0.80) CYP4F2CYP4A11LTA4HEPHX2FFAR1
Alcohol SCHEMBL5852437 0.89 LTA4H (0.73) CYP4F2CYP4A11LTA4HEPHX2FFAR1
SCHEMBL850999 0.85 APP (0.78) LTA4HEPHX2FFAR1APPLMNA
SCHEMBL24041843 0.84 ALDH1A1 (0.63) CYP4F2CYP4A11LTA4HEPHX2FFAR1
SCHEMBL5400014 0.83 APP (0.64) CYP4F2CYP4A11LTA4HEPHX2FFAR1
SCHEMBL3179250 0.83 CYP4F2 (1.00) CYP4F2CYP4A11LTA4HEPHX2FFAR1
SCHEMBL1563277 0.83 LTA4H (1.00) CYP4F2CYP4A11LTA4HEPHX2FFAR1
SCHEMBL8767634 0.82 KCNA3 (0.61) CYP4F2CYP4A11LTA4HEPHX2FFAR1
SCHEMBL17609087 0.82 LTA4H (0.63) CYP4F2CYP4A11LTA4HEPHX2FFAR1
SCHEMBL18625341 0.82 CYP4F2 (0.63) CYP4F2CYP4A11LTA4HEPHX2FFAR1

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-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-12-11 US disclosed
US-8853258-B2 C-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-10-07 US disclosed
EP-2488489-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-08-22 EP disclosed
US-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents BROWN MATTHEW FRANK (US) 2012-08-09 US disclosed
WO-2011045703-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-04-21 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 (2 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-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents HAX1, LPXN, AGXT CYP4F2 3646/4885CYP4A11 4699/4885LTA4H 115/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A CYP4F2 3971/4885CYP4A11 4790/4885LTA4H 352/4885

“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.