SCHEMBL4522699

SCHEMBL4522699

CCOC(=O)c1ccc(OCCCc2ccc(OCCCCOc3ccccc3)cc2)c(C=O)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
CASP6 P55212 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PPARG P37231 8/20 0.48
LTA4H P09960 4/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
FFAR1 O14842 1/20 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
SCHEMBL4522472 0.89 FFAR1 (0.47) PPARGKMT2AMEN1MAPTFFAR1
SCHEMBL4510798 0.86 CYSLTR2 (0.53) POLBCASP6TDP1L3MBTL1PPARG
SCHEMBL14131791 0.84 POLB (0.47) POLBCASP6TDP1L3MBTL1PPARG
SCHEMBL5118136 0.83 POLB (0.46) POLBCASP6TDP1L3MBTL1PPARG
SCHEMBL8322921 0.82 CYP1A2 (0.48) TDP1L3MBTL1
SCHEMBL5119091 0.80 MAPT (0.43) POLBCASP6TDP1L3MBTL1PPARG
SCHEMBL4373451 0.79 KMT2A (0.61) TDP1L3MBTL1PPARGKMT2AMEN1
SCHEMBL21828917 0.78 CA12 (0.51) POLBMAPT
SCHEMBL4518834 0.78 CYSLTR2 (0.46) POLBCASP6TDP1L3MBTL1PPARG
SCHEMBL5126470 0.77 KMT2A (0.48) POLBLTA4HCYSLTR2KMT2AMEN1

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
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
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

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 POLB 2956/4885CASP6 858/4885TDP1 1511/4885

“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.