SCHEMBL4521709

SCHEMBL4521709

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

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.59
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPT P10636 3/20 0.36
SLC6A5 Q9Y345 2/20 0.36
FKBP1A P62942 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
LNPEP Q9UIQ6 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35

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
SCHEMBL13918386 0.94 CYSLTR2 (0.59) CYSLTR2CYP2D6CYP2C9MAPTSLC6A5
SCHEMBL4526968 0.93 CYSLTR2 (0.59) CYSLTR2CYP2D6CYP2C9MAPTSLC6A5
SCHEMBL13918309 0.92 CYSLTR2 (0.68) CYSLTR2MAPTMEN1KMT2AALDH1A1
SCHEMBL13918313 0.92 CYSLTR2 (0.61) CYSLTR2MAPTSLC6A5MEN1KMT2A
SCHEMBL13918306 0.92 CYSLTR2 (0.61) CYSLTR2MAPTSLC6A5FKBP1AMEN1
SCHEMBL4522542 0.91 CYSLTR2 (0.63) CYSLTR2MAPTSLC6A5FKBP1AMEN1
SCHEMBL4522808 0.90 CYSLTR2 (0.60) CYSLTR2MAPTSLC6A5FKBP1AMEN1
SCHEMBL4520955 0.90 CYSLTR2 (0.59) CYSLTR2SLC6A5ALDH1A1
SCHEMBL4520534 0.90 CYSLTR2 (0.68) CYSLTR2MAPTSLC6A5FKBP1AMEN1
SCHEMBL13918326 0.90 CYSLTR2 (0.59) CYSLTR2MAPTSLC6A5MEN1KMT2A

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 4 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
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 1426/4885CYP2D6 65/4885CYP2C9 291/4885

“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.