SCHEMBL4512506

SCHEMBL4512506

O=C(O)c1ccc(OCCCc2ccc(OCCCCOc3ccccc3)cc2)c(C(=O)NC2CCCC(C(=O)O)C2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 1.00
NR1H4 Q96RI1 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 3/20 0.41
CASP6 P55212 1/20 0.41
SLC2A1 P11166 1/20 0.41
PLA2G4B P0C869 1/20 0.41
OPRK1 P41145 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 1/20 0.39

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
SCHEMBL29438768 1.00 CYSLTR2 (1.00) CYSLTR2NR1H4MEN1KMT2AALDH1A1
SCHEMBL13932996 0.99 CYSLTR2 (0.98) CYSLTR2NR1H4MEN1KMT2AALDH1A1
SCHEMBL4527529 0.97 CYSLTR2 (0.95) CYSLTR2NR1H4MEN1KMT2AALDH1A1
SCHEMBL13918385 0.95 CYSLTR2 (0.90) CYSLTR2NR1H4MEN1KMT2AALDH1A1
SCHEMBL13918344 0.95 CYSLTR2 (0.90) CYSLTR2NR1H4MEN1KMT2AALDH1A1
SCHEMBL4533363 0.94 CYSLTR2 (0.89) CYSLTR2NR1H4MEN1KMT2AALDH1A1
SCHEMBL13918311 0.94 CYSLTR2 (0.89) CYSLTR2NR1H4MEN1KMT2AALDH1A1
SCHEMBL4527632 0.94 CYSLTR2 (0.88) CYSLTR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL4527148 0.94 CYSLTR2 (0.88) CYSLTR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL13918332 0.94 CYSLTR2 (0.88) CYSLTR2NR1H4MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572628-B1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-25 EP claimed
US-20060154912-A1 Isophtalic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 US claimed
EP-1572628-A1 ISOPHTALIC ACID DERIVATIVES Bayer HealthCare AG (DE) 2005-09-14 EP claimed
WO-2004052839-A1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-06-24 WO claimed
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
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 1426/4885NR1H4 177/4885MEN1 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.