SCHEMBL4512879

SCHEMBL4512879

CCOC(=O)CCc1ccc(C=CCCCOc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.54
TDP1 Q9NUW8 1/20 0.51
PPARA Q07869 3/20 0.51
PPARD Q03181 1/20 0.51
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
S1PR1 P21453 3/20 0.49
S1PR3 Q99500 2/20 0.49
PPARG P37231 2/20 0.48
CYP4Z1 Q86W10 1/20 0.47
FFAR1 O14842 2/20 0.47

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
SCHEMBL4512878 1.00 LTA4H (0.54) LTA4HTDP1PPARAPPARDCYP4F2
SCHEMBL1745109 0.82 FFAR1 (0.69) LTA4HTDP1CYP4F2CYP4A11S1PR1
SCHEMBL5208826 0.81 CA12 (0.56) TDP1PPARAPPARD
SCHEMBL1752763 0.81 FFAR1 (0.70) LTA4HTDP1CYP4F2CYP4A11S1PR1
SCHEMBL8888665 0.80 NR1H4 (0.57) LTA4HPPARAPPARDPPARG
SCHEMBL8888662 0.80 NR1H4 (0.57) LTA4HPPARAPPARDPPARG
SCHEMBL4510808 0.80 LTA4H (0.52) LTA4HPPARAPPARDS1PR1S1PR3
SCHEMBL4510807 0.80 LTA4H (0.52) LTA4HPPARAPPARDS1PR1S1PR3
SCHEMBL4526042 0.80 LTA4H (0.52) LTA4HPPARAPPARDS1PR1S1PR3
SCHEMBL7999920 0.80 ABCG2 (0.50) LTA4HPPARAPPARD

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-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
EP-1572628-B1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-25 EP disclosed
US-20060154912-A1 Isophtalic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 US disclosed
EP-1572628-A1 ISOPHTALIC ACID DERIVATIVES Bayer HealthCare AG (DE) 2005-09-14 EP disclosed
WO-2004052839-A1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-06-24 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-20060154912-A1 Isophtalic acid derivatives VHL, FABP3, CPT1A LTA4H 281/4885TDP1 1511/4885PPARA 42/4885

“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.