SCHEMBL4315530

SCHEMBL4315530

COc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1.Oc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.73
ESR2 Q92731 2/20 0.73
NR1H2 P55055 1/20 0.63
BAX Q07812 1/20 0.63
BACE1 P56817 1/20 0.59
MMP3 P08254 1/20 0.58
BCL2L1 Q07817 1/20 0.58
ABL1 P00519 3/20 0.56
ABCB1 P08183 3/20 0.56
BCR P11274 3/20 0.56
TP53 P04637 3/20 0.55
NPC1 O15118 1/20 0.55
MAPK1 P28482 1/20 0.55
CASP3 P42574 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
APP P05067 2/20 0.55

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
SCHEMBL5190092 0.94 ESR2 (0.83) LTA4HESR2BACE1MMP3BCL2L1
SCHEMBL26766402 0.92 LTA4H (0.86) LTA4HESR2NR1H2BAXABL1
Biphenyl SCHEMBL28073296 0.92 ESR2 (0.78) LTA4HESR2NR1H2BAXBACE1
SCHEMBL4307648 0.90 LTA4H (0.77) LTA4HESR2BACE1ABL1ABCB1
SCHEMBL20694283 0.90 LTA4H (0.77) LTA4HESR2BACE1ABL1ABCB1
SCHEMBL25960632 0.90 LTA4H (0.77) LTA4HESR2NR1H2BAXMMP3
SCHEMBL4320112 0.90 LTA4H (0.77) LTA4HESR2NR1H2BAXMMP3
SCHEMBL11426529 0.88 LTA4H (0.82) LTA4HESR2NR1H2BAXMMP3
SCHEMBL5374943 0.86 LTA4H (0.86) LTA4HESR2NR1H2BAXMMP3
SCHEMBL15722134 0.86 LTA4H (0.86) LTA4HESR2ABL1ABCB1BCR

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-7576102-B2 Biaryl substituted nitrogen containing heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2009-08-18 US disclosed
US-20070142432-A1 BIARYL SUBSTITUTED NITROGEN CONTAINING HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-21 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-20070142432-A1 BIARYL SUBSTITUTED NITROGEN CONTAINING HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTC4S, LTB4R LTA4H 1/4885ESR2 1696/4885NR1H2 155/4885

“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.