SCHEMBL4520534

SCHEMBL4520534

COC(=O)c1ccc(OCCCc2ccc(OCc3ccc(Oc4ccccc4)cc3)cc2)c(C(=O)NC2CCCC(C(=O)OC)C2)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.68
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
SGMS2 Q8NHU3 1/20 0.40
EZH2 Q15910 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SLC2A1 P11166 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
LNPEP Q9UIQ6 1/20 0.38
MAOB P27338 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
FKBP1A P62942 1/20 0.37

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
SCHEMBL13918309 0.96 CYSLTR2 (0.68) CYSLTR2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4521894 0.93 CYSLTR2 (0.78) CYSLTR2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL13932995 0.93 CYSLTR2 (0.75) CYSLTR2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL13918304 0.92 CYSLTR2 (0.63) CYSLTR2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL13918306 0.92 CYSLTR2 (0.61) CYSLTR2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL13918313 0.92 CYSLTR2 (0.61) CYSLTR2KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL13918330 0.91 CYSLTR2 (0.68) CYSLTR2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4522542 0.91 CYSLTR2 (0.63) CYSLTR2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4524350 0.91 CYSLTR2 (0.74) CYSLTR2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL4522808 0.90 CYSLTR2 (0.60) CYSLTR2KMT2AMEN1ALDH1A1SMN1; SMN2

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 CYSLTR2 1426/4885KMT2A 4033/4885MEN1 3208/4885

“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.