SCHEMBL4522096

SCHEMBL4522096

CC(C)Oc1ccc(COc2ccc(CCCOc3ccc(C(=O)O)cc3C(=O)NC3CCCC(C(=O)O)C3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.77
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SLC6A5 Q9Y345 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38
TAOK3 Q9H2K8 1/20 0.38
GCK P35557 1/20 0.38
SGMS2 Q8NHU3 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
EZH2 Q15910 1/20 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
SCHEMBL13918414 0.94 CYSLTR2 (0.78) CYSLTR2SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL4523691 0.92 CYSLTR2 (0.77) CYSLTR2SMN1; SMN2SLC6A5ALDH1A1MEN1
SCHEMBL13918387 0.92 CYSLTR2 (0.77) CYSLTR2SLC6A5ALDH1A1MEN1KMT2A
SCHEMBL13918314 0.91 CYSLTR2 (0.80) CYSLTR2NPC1RAB9ASLC6A5ALDH1A1
SCHEMBL13918307 0.91 CYSLTR2 (0.80) CYSLTR2NPC1RAB9ASLC6A5ALDH1A1
SCHEMBL13918311 0.91 CYSLTR2 (0.89) CYSLTR2SMN1; SMN2SLC6A5ALDH1A1MEN1
SCHEMBL4508651 0.91 CYSLTR2 (0.82) CYSLTR2SMN1; SMN2NPC1RAB9ASLC6A5
SCHEMBL13918439 0.90 CYSLTR2 (0.76) CYSLTR2SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL13918325 0.89 CYSLTR2 (0.77) CYSLTR2SLC6A5ALDH1A1MEN1KMT2A
SCHEMBL4527148 0.89 CYSLTR2 (0.88) CYSLTR2SMN1; SMN2SLC6A5ALDH1A1MEN1

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
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 1426/4885SMN1; SMN2 3233/4885NPC1 478/4885

“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.