SCHEMBL12401879

SCHEMBL12401879

OCCCc1ccc(OCOc2ccc(CCCO)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.65
EPHX2 P34913 1/20 0.65
PPARA Q07869 1/20 0.50
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
CYP4A11 Q02928 2/20 0.47
CA2 P00918 2/20 0.46
HRH3 Q9Y5N1 3/20 0.44
FFAR1 O14842 2/20 0.43
CALM1 P0DP23 1/20 0.42
CYP4F2 P78329 1/20 0.42

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
SCHEMBL5672568 0.88 LTA4H (0.57) LTA4HEPHX2PPARAMEN1USP2
SCHEMBL4870501 0.85 LTA4H (0.62) LTA4HEPHX2PPARAMEN1USP2
SCHEMBL4990243 0.85 LTA4H (0.62) LTA4HEPHX2PPARAMEN1USP2
SCHEMBL5671708 0.83 LTA4H (0.61) LTA4HEPHX2PPARAMEN1USP2
SCHEMBL3162199 0.83 LTA4H (0.59) LTA4HEPHX2PPARAMEN1USP2
SCHEMBL3027395 0.82 ALDH1A1 (0.69) LTA4HEPHX2PPARAMEN1USP2
SCHEMBL10405522 0.81 MEN1 (0.51) LTA4HEPHX2PPARAMEN1USP2
SCHEMBL11366627 0.81 LTA4H (0.58) LTA4HEPHX2PPARAMEN1USP2
SCHEMBL239040 0.81 CA2 (0.60) LTA4HEPHX2PPARAALDH1A1LMNA
SCHEMBL19000923 0.80 LTA4H (0.57) LTA4HEPHX2PPARAMEN1USP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703825-B2 Compounds, use thereof as medicaments, and method of preparation thereof UNIVERSITE DE LORRAINE (FR) 2014-04-22 US disclosed
US-20110184070-A1 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD OF PREPARATION THEREOF UNIVERSITE HENRI POINCARE NANCY 1 (FR) 2011-07-28 US 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-20110184070-A1 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD OF PREPARATION THEREOF CYP11B2, NPM1, B2M LTA4H 3118/4885EPHX2 1713/4885PPARA 181/4885

“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.