SCHEMBL4528312

SCHEMBL4528312

CCOC(=O)c1ccc(OCCCc2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)c(C(=O)NC2CCCCC2C(=O)OCC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.48
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
HRH3 Q9Y5N1 1/20 0.40
SLC8A1 P32418 1/20 0.39
AXL P30530 2/20 0.39
MERTK Q12866 2/20 0.39
APAF1 O14727 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
F9 P00740 2/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
PPARG P37231 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA5 P30532 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 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
SCHEMBL4528314 1.00 CYSLTR2 (0.48) CYSLTR2TAS1R3TAS1R1HRH3SLC8A1
SCHEMBL4525421 0.92 CYSLTR2 (0.57) CYSLTR2TAS1R3TAS1R1SLC8A1F9
SCHEMBL4525419 0.92 CYSLTR2 (0.57) CYSLTR2TAS1R3TAS1R1SLC8A1F9
SCHEMBL4523082 0.86 CYSLTR2 (0.64) CYSLTR2AXLMERTKKMT2A
SCHEMBL4523085 0.86 CYSLTR2 (0.64) CYSLTR2AXLMERTKKMT2A
SCHEMBL4521068 0.85 CYSLTR2 (0.52) CYSLTR2APAF1MAPTKMT2APRSS1
SCHEMBL4521070 0.85 CYSLTR2 (0.52) CYSLTR2APAF1MAPTKMT2APRSS1
SCHEMBL4527322 0.84 CYSLTR2 (0.56) CYSLTR2APAF1MAPTKMT2APRSS1
SCHEMBL13918505 0.84 CYSLTR2 (0.52) CYSLTR2MAPTKMT2APRSS1PRSS2
SCHEMBL4508320 0.84 CYSLTR2 (0.56) CYSLTR2APAF1MAPTKMT2APRSS1

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 2 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-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 1426/4885TAS1R3 4714/4885TAS1R1 4740/4885

“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.