SCHEMBL8996063

SCHEMBL8996063

CCCCOc1cc(C=O)cc(F)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALOX5 P09917 2/20 0.44
STAT3 P40763 2/20 0.44
NFE2L2 Q16236 2/20 0.44
PTGES O14684 1/20 0.44
PTGS1 P23219 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ALDH1A1 P00352 4/20 0.43
FDPS P14324 1/20 0.41
ESR1 P03372 2/20 0.40
STK17B O94768 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2C9 P11712 2/20 0.38

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
SCHEMBL9065484 0.92 KDM4E (0.48) KDM4EALOX5STAT3NFE2L2PTGES
SCHEMBL15568711 0.86 ALOX5 (0.42) KDM4EALOX5STAT3NFE2L2PTGES
SCHEMBL1515768 0.85 KDM4E (0.61) KDM4EALOX5STAT3NFE2L2PTGES
SCHEMBL13916239 0.84 FDPS (0.41) KDM4EALDH1A1FDPSSTK17BTDP1
SCHEMBL12648267 0.82 FDPS (0.45) ALOX5STAT3NFE2L2PTGESPTGS1
SCHEMBL12056204 0.80 GRIN2D (0.41) KDM4EALDH1A1FDPSTDP1GAA
SCHEMBL12335690 0.79 FDPS (0.53) ALDH1A1FDPSTDP1GAAL3MBTL1
SCHEMBL10291447 0.79 FDPS (0.53) ALDH1A1FDPSTDP1GAAL3MBTL1
SCHEMBL18033266 0.79 FDPS (0.45) ALOX5STAT3NFE2L2PTGESPTGS1
SCHEMBL10497234 0.78 FDPS (0.46) KDM4EALDH1A1FDPSTDP1GAA

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-20110104055-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTEOTECH INC. 2011-05-05 US disclosed
US-20090060838-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTEOTECH INC. 2009-03-05 US disclosed
EP-0537742-B1 Styrene derivatives MITSUBISHI CHEM CORP (JP) 1996-08-21 EP disclosed
US-5514711-A ANTICARCINOGENIC AGENTS; SIDE EFFECT REDUCTION MITSUBISHI CHEMICAL CORPORATION (JP) 1996-05-07 US disclosed
EP-0537742-A2 Styrene derivatives Mitsubishi Chemical Corporation (JP) 1993-04-21 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 (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-20090060838-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES IAPP, SNCA, BACE2 KDM4E 3095/4885ALOX5 4378/4885STAT3 4217/4885
US-20110104055-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES IAPP, SNCA, BACE2 KDM4E 3429/4885ALOX5 4150/4885STAT3 4287/4885

“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.