SCHEMBL5152164

SCHEMBL5152164

COc1ccc(-n2nc(OCC(C)C)cc2-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.56
MCL1 Q07820 4/20 0.56
BCL2 P10415 3/20 0.56
RPA1 P27694 1/20 0.47
CCKAR P32238 6/20 0.44
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
PTGS2 P35354 4/20 0.44
PTGS1 P23219 3/20 0.44
MGLL Q99685 1/20 0.44
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5152182 0.91 MDM2 (0.53) MDM2MCL1BCL2RPA1CCKAR
SCHEMBL14504382 0.89 MDM2 (0.60) MDM2MCL1BCL2RPA1CCKAR
SCHEMBL5147902 0.88 MDM2 (0.57) MDM2MCL1BCL2RPA1CCKAR
SCHEMBL5150511 0.88 MDM2 (0.56) MDM2MCL1BCL2RPA1CCKAR
SCHEMBL5148990 0.86 MDM2 (0.54) MDM2MCL1BCL2RPA1CCKAR
SCHEMBL5152380 0.86 MDM2 (0.51) MDM2MCL1RPA1CCKARPTGS2
SCHEMBL5148836 0.84 PTGS2 (0.54) MDM2MCL1BCL2RPA1FABP3
SCHEMBL5148838 0.84 MDM2 (0.52) MDM2MCL1RPA1CCKARFABP3
SCHEMBL5147768 0.84 MDM2 (0.52) MDM2MCL1BCL2RPA1CCKAR
Hydrochloric Acid SCHEMBL5148654 0.82 MDM2 (0.47) MDM2MCL1RPA1CCKARFABP3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
EP-1567503-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP disclosed
WO-2004050632-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 WO disclosed
US-20040116475-A1 Pyrazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 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-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 MDM2 1492/4885MCL1 1748/4885BCL2 2334/4885

“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.