SCHEMBL4233371

SCHEMBL4233371

CCCOc1ccc(C)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.56
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
NR5A1 Q13285 1/20 0.47
SLC5A1 P13866 1/20 0.47
SLC5A2 P31639 1/20 0.47
ELANE P08246 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44

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
SCHEMBL11983843 0.92 LTA4H (0.56) LTA4HPTGS1PTGS2NR5A1KMT2A
SCHEMBL28233564 0.89 NR5A1 (0.62) LTA4HNR5A1KMT2AMEN1L3MBTL1
SCHEMBL13298116 0.87 NR5A1 (0.66) LTA4HNR5A1KMT2AMEN1L3MBTL1
SCHEMBL9008240 0.87 NR5A1 (0.66) LTA4HNR5A1KMT2AMEN1L3MBTL1
SCHEMBL17445865 0.87 NR5A1 (0.66) LTA4HNR5A1KMT2AMEN1L3MBTL1
SCHEMBL3720136 0.85 PTGS1 (0.53) LTA4HPTGS1PTGS2SLC5A1SLC5A2
SCHEMBL4647002 0.85 NR1I2 (0.46) LTA4HNR5A1ALDH1A1GAACA12
SCHEMBL4229019 0.84 LTA4H (0.53) LTA4HSLC5A1SLC5A2KMT2AMEN1
SCHEMBL338731 0.84 LTA4H (0.60) LTA4HPTGS1PTGS2NR5A1SLC5A1
SCHEMBL1050330 0.84 LTA4H (0.60) LTA4HPTGS1PTGS2NR5A1SLC5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160060260-A1 BROMODOMAIN INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-03-03 US disclosed
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
EP-1896465-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS Takeda Cambridge Limited (GB) 2008-03-12 EP disclosed
WO-2007000582-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2007-01-04 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-20160060260-A1 BROMODOMAIN INHIBITORS FOR TREATING DISEASE BRDT, BRPF3, BRWD1 LTA4H 3000/4885PTGS1 2477/4885PTGS2 3046/4885
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists GNRHR, GHRHR, FSHR LTA4H 3809/4885PTGS1 2635/4885PTGS2 1948/4885

“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.