SCHEMBL4524544

SCHEMBL4524544

COC(=O)c1ccc(OCC=Cc2ccc(OCCCCOc3ccccc3)cc2)c(C(=O)NC2CCCC(C(=O)OC)C2)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 4/20 0.58
CYSLTR1 Q9Y271 2/20 0.42
MCHR1 Q99705 3/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
GRM5 P41594 1/20 0.36
NPC1 O15118 1/20 0.36
S1PR1 P21453 1/20 0.36
OPRK1 P41145 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SLC2A1 P11166 1/20 0.36

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
SCHEMBL4524539 1.00 CYSLTR2 (0.58) CYSLTR2CYSLTR1MCHR1POLBRAB9A
SCHEMBL4512254 0.92 CYSLTR2 (0.57) CYSLTR2CYSLTR1MCHR1POLBRAB9A
SCHEMBL4512258 0.92 CYSLTR2 (0.57) CYSLTR2CYSLTR1MCHR1POLBRAB9A
SCHEMBL4521604 0.90 CYSLTR2 (0.68) CYSLTR2POLBRAB9AMAPTGRM5
SCHEMBL4522489 0.88 CYSLTR2 (0.73) CYSLTR2CYSLTR1MCHR1POLBRAB9A
SCHEMBL4522480 0.88 CYSLTR2 (0.73) CYSLTR2CYSLTR1MCHR1POLBRAB9A
SCHEMBL4507345 0.88 CYSLTR2 (0.64) CYSLTR2CYSLTR1MCHR1POLBRAB9A
SCHEMBL4507341 0.88 CYSLTR2 (0.64) CYSLTR2CYSLTR1MCHR1POLBRAB9A
SCHEMBL4513762 0.88 CYSLTR2 (0.64) CYSLTR2CYSLTR1MCHR1POLBRAB9A
SCHEMBL4521894 0.86 CYSLTR2 (0.78) CYSLTR2POLBRAB9AMAPTGRM5

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 1426/4885CYSLTR1 1675/4885MCHR1 3832/4885

“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.