SCHEMBL10898

SCHEMBL10898

ICCc1ccc(COc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.68
FFAR1 O14842 4/20 0.62
LTA4H P09960 1/20 0.58
EPHX2 P34913 1/20 0.58
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
ALOX12 P18054 1/20 0.56
CASP1 P29466 1/20 0.56
HSD17B10 Q99714 1/20 0.56
FFAR4 Q5NUL3 2/20 0.56
BCHE P06276 2/20 0.54
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 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
SCHEMBL5599 0.94 LTA4H (0.66) APPFFAR1LTA4HEPHX2ALDH1A1
SCHEMBL850999 0.87 APP (0.78) APPFFAR1LTA4HEPHX2ALDH1A1
SCHEMBL7712382 0.85 CYP4F2 (0.70) FFAR1ALDH1A1HPGDALOX15ALOX12
SCHEMBL1562483 0.85 LTA4H (0.70) APPFFAR1LTA4HEPHX2FFAR4
SCHEMBL5750846 0.83 LTA4H (0.68) FFAR1LTA4HEPHX2FFAR4BCHE
SCHEMBL10609652 0.82 LMNA (0.75) APPFFAR1LTA4HEPHX2FFAR4
Benzylphenylether SCHEMBL61660 0.82 LMNA (0.74) APPBCHELMNACYP1A2PTGS1
SCHEMBL15196499 0.82 FFAR1 (0.61) APPFFAR1LTA4HEPHX2FFAR4
SCHEMBL8422546 0.82 KCNA3 (0.64) FFAR1LTA4HALDH1A1HPGDALOX15
SCHEMBL6029 0.82 CYP4F2 (0.71) APPFFAR1LTA4HEPHX2ALDH1A1

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 APP 4373/4885FFAR1 1313/4885LTA4H 115/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A APP 4574/4885FFAR1 2319/4885LTA4H 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.