SCHEMBL5455680

SCHEMBL5455680

COc1ccc(C(=O)c2cnn(C(C)(C)C)c2O)c2c1OCC1CONC21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5459056 0.89 KDM4E (0.33) KDM4EALDH1A1LMNAHSD17B10
SCHEMBL5228868 0.77 KDM4E (0.40) KDM4EALDH1A1LMNAHSD17B10
SCHEMBL5229060 0.76 KDM4E (0.39) KDM4EALDH1A1LMNAHSD17B10
SCHEMBL7254084 0.71 ALDH1A1 (0.33) KDM4EALDH1A1LMNAHSD17B10
SCHEMBL12555615 0.62
SCHEMBL7946227 0.61 PDE4B (0.36) KDM4EALDH1A1LMNAHSD17B10
SCHEMBL5722790 0.58 MAPT (0.51) KDM4EALDH1A1LMNAHSD17B10
SCHEMBL5723212 0.57 KDM4E (0.47) KDM4EALDH1A1LMNAHSD17B10
SCHEMBL5000921 0.57 MAPK1 (0.35) KDM4EALDH1A1LMNA
SCHEMBL7951450 0.56 GAA (0.34) KDM4EALDH1A1

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-20070197393-A1 TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES WITSCHEL MATTHIAS 2007-08-23 US disclosed
US-7115545-B1 Tricyclic benzoylpyrazole derivatives used as a herbicide BASF AKTIENGESELLSCHAFT (DE) 2006-10-03 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-20070197393-A1 TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES CBR3, CBR1, KAT8 KDM4E 2750/4885ALDH1A1 4069/4885LMNA 3722/4885

“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.