SCHEMBL4520955

SCHEMBL4520955

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

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.59
MRGPRX4 Q96LA9 1/20 0.44
SLC6A5 Q9Y345 11/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
IDH1 O75874 2/20 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
SCHEMBL13918306 0.92 CYSLTR2 (0.61) CYSLTR2SLC6A5ALDH1A1
SCHEMBL13918309 0.92 CYSLTR2 (0.68) CYSLTR2ALDH1A1
SCHEMBL13918313 0.92 CYSLTR2 (0.61) CYSLTR2SLC6A5
SCHEMBL13918301 0.91 CYSLTR2 (0.56) CYSLTR2MRGPRX4SLC6A5ALDH1A1POLB
SCHEMBL13918326 0.91 CYSLTR2 (0.59) CYSLTR2SLC6A5ALDH1A1
SCHEMBL4522542 0.91 CYSLTR2 (0.63) CYSLTR2SLC6A5ALDH1A1
SCHEMBL4522808 0.90 CYSLTR2 (0.60) CYSLTR2SLC6A5ALDH1A1POLB
SCHEMBL4526968 0.90 CYSLTR2 (0.59) CYSLTR2SLC6A5ALDH1A1POLBIDH1
SCHEMBL4521709 0.90 CYSLTR2 (0.59) CYSLTR2SLC6A5ALDH1A1
SCHEMBL4520534 0.90 CYSLTR2 (0.68) CYSLTR2SLC6A5ALDH1A1

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 1426/4885MRGPRX4 3412/4885SLC6A5 1619/4885

“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.