SCHEMBL4522253

SCHEMBL4522253

O=C(O)c1ccc(OCCCc2ccc(OCCCCOc3ccccc3)cc2)c(C(=O)N2CCC(C(=O)O)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.64
S1PR1 P21453 2/20 0.49
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.46
LTA4H P09960 1/20 0.46
S1PR5 Q9H228 1/20 0.45
PLA2G4B P0C869 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
S1PR3 Q99500 1/20 0.42
POLB P06746 2/20 0.42
CASP6 P55212 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42

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
SCHEMBL13918454 0.98 CYSLTR2 (0.62) CYSLTR2S1PR1RECQLKMT2ALTA4H
SCHEMBL13918475 0.97 CYSLTR2 (0.61) CYSLTR2S1PR1RECQLKMT2ALTA4H
SCHEMBL13918337 0.96 CYSLTR2 (0.60) CYSLTR2S1PR1RECQLKMT2ALTA4H
SCHEMBL13918478 0.94 CYSLTR2 (0.57) CYSLTR2S1PR1RECQLKMT2ALTA4H
SCHEMBL13918389 0.92 CYSLTR2 (0.56) CYSLTR2S1PR1RECQLKMT2ALTA4H
SCHEMBL13918397 0.92 S1PR5 (0.56) CYSLTR2S1PR1S1PR5PLA2G4BRAB9A
SCHEMBL13918357 0.92 S1PR5 (0.56) CYSLTR2S1PR1S1PR5PLA2G4BRAB9A
SCHEMBL13918360 0.92 S1PR5 (0.56) CYSLTR2S1PR1S1PR5PLA2G4BRAB9A
SCHEMBL4516440 0.91 CYSLTR2 (0.55) CYSLTR2S1PR1RECQLKMT2ALTA4H
SCHEMBL13918489 0.91 CYSLTR2 (0.54) CYSLTR2S1PR1RECQLKMT2ALTA4H

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 8 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
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 CYSLTR2 1426/4885S1PR1 4458/4885RECQL 2021/4885

“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.