SCHEMBL4267571

SCHEMBL4267571

CC(C)CCOC(=O)c1cc(OCCC(C)C)cc(-c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 17/20 0.45
LTB4R Q15722 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL4262285 0.89 MCL1 (0.49) P2RY12LTB4RMAPK1
SCHEMBL981734 0.79 MAPT (0.48) P2RY12MAPK1
SCHEMBL4267602 0.79 ADORA1 (0.49) LTB4RMAPK1
SCHEMBL4265091 0.78 P2RY12 (0.49) P2RY12
SCHEMBL4264891 0.77 TLR8 (0.49) LTB4RMAPK1
SCHEMBL4267162 0.75 MCL1 (0.58) P2RY12
SCHEMBL1111239 0.74 P2RY12 (0.52) P2RY12
SCHEMBL16724449 0.74 P2RY12 (0.51) P2RY12MAPK1
Hydrochloric Acid SCHEMBL15574551 0.72 MAPK1 (0.55) MAPK1
SCHEMBL2899930 0.72 MCL1 (0.52) LTB4R

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-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 EP 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-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 P2RY12 4743/4885LTB4R 3889/4885MAPK1 2607/4885

“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.