SCHEMBL508775

SCHEMBL508775

Cc1c(CC(=O)OC(C)(C)C)c(C2CCCCC2)nn1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.48
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NR1D1 P20393 1/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
CNR2 P34972 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL508813 0.87 PTGDR2 (0.51) PTGDR2POLB
SCHEMBL508366 0.74 LMNA (0.41) PTGDR2LMNAHTTPDE4APDE4B
SCHEMBL508765 0.74 PTGDR2 (0.51) PTGDR2
SCHEMBL509330 0.73 LMNA (0.56) PTGDR2LMNAHTTPDE4APDE4B
SCHEMBL31395608 0.72 PDE4A (0.53) PTGDR2LMNAHTTPDE4APDE4B
SCHEMBL12466468 0.72 LMNA (0.48) PTGDR2LMNAMEN1KMT2A
SCHEMBL10996751 0.71 MAPT (0.53) LMNAHTTALDH1A1SMN1; SMN2NR1D1
SCHEMBL12466137 0.70 PTGDR2 (0.45) PTGDR2
SCHEMBL12825706 0.69 PTGDR2 (0.60) PTGDR2
SCHEMBL2311866 0.69 PTGDR2 (0.60) PTGDR2

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-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092140-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 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-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, HRH1, HRH3 PTGDR2 29/4885LMNA 3633/4885HTT 4212/4885

“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.