SCHEMBL18394129

SCHEMBL18394129

CCCCCc1cccc(C=O)c1OO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.45
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
PPARA Q07869 3/20 0.43
BID P55957 5/20 0.42
MCL1 Q07820 5/20 0.42
BCL2L1 Q07817 4/20 0.42
BAK1 Q16611 4/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARG P37231 2/20 0.42
SAE1 Q9UBE0 2/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
F7 P08709 3/20 0.40

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
SCHEMBL28321749 0.85 PPARA (0.49) LIPGALOX5PTGS2PPARABID
SCHEMBL5223765 0.81 CA1 (0.51) LIPGALOX5PTGS2PPARABID
SCHEMBL27775346 0.80 GAA (0.41) LIPGALOX5PTGS2PPARGCA1
SCHEMBL1527091 0.80 ALOX5 (0.55) LIPGALOX5PTGS2PPARABID
SCHEMBL8119443 0.79 LMNA (0.45) LIPGPPARACA1CA2
SCHEMBL617128 0.79 LIPG (0.55) LIPGALOX5PTGS2PPARABID
SCHEMBL6910210 0.78 ALOX5 (0.54) LIPGALOX5PTGS2PPARABID
SCHEMBL11503688 0.78 ALOX5 (0.54) LIPGALOX5PTGS2PPARABID
SCHEMBL8531468 0.78 ALOX5 (0.54) LIPGALOX5PTGS2PPARABID
SCHEMBL1527072 0.78 ALOX5 (0.54) LIPGALOX5PTGS2PPARABID

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-10259767-B2 Method for the preparation of alkylsalicylaldehyde and alkylsalicylaldoxime, and use thereof S.P.C.M. SA (FR) 2019-04-16 US disclosed
US-20180186714-A1 METHOD FOR THE PREPARATION OF ALKYLSALICYLALDEHYDE AND ALKYLSALICYLALDOXIME, AND USE THEREOF S.P.C.M. SA (FR) 2018-07-05 US disclosed
EP-3121161-B1 A METHOD FOR THE PREPARATION OF ALKYLSALICYLALDEHYDE AND ALKYLSALICYLALDOXIME, AND USE THEREOF SPCM SA (FR) 2018-03-07 EP disclosed
WO-2017012757-A1 A METHOD FOR THE PREPARATION OF ALKYLSALICYLALDEHYDE AND ALKYLSALICYLALDOXIME, AND USE THEREOF S.P.C.M. SA (FR) 2017-01-26 WO disclosed
EP-3121161-A1 A METHOD FOR THE PREPARATION OF ALKYLSALICYLALDEHYDE AND ALKYLSALICYLALDOXIME, AND USE THEREOF S.P.C.M. SA (FR) 2017-01-25 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-10259767-B2 Method for the preparation of alkylsalicylaldehyde and alkylsalicylaldoxime, and use thereof AADAT, HAAO, HNMT LIPG 4782/4885ALOX5 68/4885PTGS2 60/4885
US-20180186714-A1 METHOD FOR THE PREPARATION OF ALKYLSALICYLALDEHYDE AND ALKYLSALICYLALDOXIME, AND USE THEREOF AADAT, HAAO, HNMT LIPG 4782/4885ALOX5 68/4885PTGS2 60/4885

“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.