SCHEMBL4516413

SCHEMBL4516413

O=C(O)CC1CCN(C(=O)c2cc(C(=O)O)ccc2OCCCc2ccc(OCCCCOc3ccccc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.56
PLA2G4B P0C869 1/20 0.42
FFAR1 O14842 2/20 0.42
S1PR1 P21453 2/20 0.41
RECQL P46063 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
CASP6 P55212 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
YAP1 P46937 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
HPGD P15428 1/20 0.40
SLC6A7 Q99884 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
S1PR3 Q99500 1/20 0.40

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
SCHEMBL4532981 0.91 CYSLTR2 (0.55) CYSLTR2PLA2G4BFFAR1S1PR1POLB
SCHEMBL13918482 0.90 CYSLTR2 (0.55) CYSLTR2PLA2G4BFFAR1S1PR1NPC1
SCHEMBL4522253 0.89 CYSLTR2 (0.64) CYSLTR2PLA2G4BS1PR1RECQLNPC1
SCHEMBL6199651 0.88 CYSLTR2 (0.59) CYSLTR2PLA2G4BFFAR1NPC1POLB
SCHEMBL5209887 0.87 CYSLTR2 (0.56) CYSLTR2PLA2G4BFFAR1S1PR1RECQL
SCHEMBL13918454 0.87 CYSLTR2 (0.62) CYSLTR2PLA2G4BFFAR1S1PR1RECQL
SCHEMBL13918475 0.86 CYSLTR2 (0.61) CYSLTR2PLA2G4BFFAR1S1PR1RECQL
SCHEMBL13918337 0.85 CYSLTR2 (0.60) CYSLTR2PLA2G4BFFAR1S1PR1RECQL
SCHEMBL4517384 0.85 CYSLTR2 (0.46) CYSLTR2RECQLNPC1POLBCASP6
SCHEMBL13918478 0.83 CYSLTR2 (0.57) CYSLTR2PLA2G4BS1PR1RECQLNPC1

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 1426/4885PLA2G4B 2504/4885FFAR1 832/4885

“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.