SCHEMBL14127828

SCHEMBL14127828

CCCCCC1=CC=CCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
ALOX5 P09917 5/20 0.35
PTGS2 P35354 5/20 0.35
PTPN1 P18031 1/20 0.34
GLS2 Q9UI32 1/20 0.34
HPSE Q9Y251 2/20 0.30
CYP19A1 P11511 1/20 0.30
GPR84 Q9NQS5 3/20 0.30

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
SCHEMBL7739836 0.84 ACHE (0.42) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL1998499 0.82 ACHE (0.44) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL9131916 0.78 ACHE (0.35) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL357488 0.78 ACHE (0.43) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL27482175 0.77 ACHE (0.46) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL6903485 0.77 ACHE (0.46) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL11543697 0.77 ACHE (0.46) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL6898154 0.77 ACHE (0.46) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL6896832 0.77 ACHE (0.46) ACHEBACE1ALOX5PTGS2PTPN1
SCHEMBL243893 0.77 ACHE (0.46) ACHEBACE1ALOX5PTGS2PTPN1

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-8653307-B2 Liphagal enantiomers and their derivatives and precursors, and enantioselective methods of making the same CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-02-18 US disclosed
US-20130023676-A1 LIPHAGAL ENANTIOMERS AND THEIR DERIVATIVES AND PRECURSORS, AND ENANTIOSELECTIVE METHODS OF MAKING THE SAME CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-01-24 US disclosed
WO-2012166987-A2 LIPHAGAL ENANTIOMERS AND THEIR DERIVATIVES AND PRECURSORS, AND ENANTIOSELECTIVE METHODS OF MAKING THE SAME CALIFORNIA INSTITUTE TECHNOLOGY (US) 2012-12-06 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 (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-20130023676-A1 LIPHAGAL ENANTIOMERS AND THEIR DERIVATIVES AND PRECURSORS, AND ENANTIOSELECTIVE METHODS OF MAKING THE SAME LIPC, LIPE, LIPA ACHE 1424/4885BACE1 1305/4885ALOX5 153/4885

“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.