SCHEMBL4595972

SCHEMBL4595972

COc1cc(C)c(C(=O)c2c(OC)cnc(Cl)c2Cl)c(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
GFER P55789 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTPN1 P18031 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2C P28335 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
SCHEMBL674871 0.91 ALDH1A1 (0.35) LMNAMAPTALDH1A1HPGDKMT2A
SCHEMBL6246171 0.91 MAPT (0.35) LMNAMAPTALDH1A1HPGDKMT2A
SCHEMBL6247176 0.90 KMT2A (0.36) LMNAMAPTALDH1A1HPGDKMT2A
SCHEMBL676407 0.88 PTPN1 (0.38) LMNAMAPTALDH1A1HPGDKMT2A
SCHEMBL675722 0.87 LMNA (0.35) LMNAMAPTALDH1A1HPGDKMT2A
SCHEMBL29979255 0.84 MAPT (0.34) LMNAMAPTALDH1A1HPGDKMT2A
SCHEMBL434599 0.84 MAPT (0.34) LMNAMAPTALDH1A1HPGDKMT2A
SCHEMBL675081 0.84 HSP90AA1 (0.34) LMNAMAPTALDH1A1HPGDKMT2A
SCHEMBL27813524 0.81 ACHE (0.45) LMNAMAPTALDH1A1HPGDKMT2A
SCHEMBL675367 0.81 MAPT (0.37) LMNAMAPTALDH1A1HPGDKMT2A

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
EP-1296952-B9 BENZOYLPYRIDINE DERIVATIVE OR ITS SALT, FUNGICIDE CONTAINING IT AS AN ACTIVE INGREDIENT, ITS PRODUCTION PROCESS AND INTERMEDIATE FOR PRODUCING IT ISHIHARA SANGYO KAISHA (JP) 2008-01-09 EP disclosed
EP-1296952-B1 BENZOYLPYRIDINE DERIVATIVE OR ITS SALT, FUNGICIDE CONTAINING IT AS AN ACTIVE INGREDIENT, ITS PRODUCTION PROCESS AND INTERMEDIATE FOR PRODUCING IT ISHIHARA SANGYO KAISHA (JP) 2007-09-12 EP disclosed
EP-1559320-A1 3-BENZOYL-2,4,5-SUBSTITUTED PYRIDINE DERIVATIVES OR SALTS THEREOF AND BACTERICIDES CONTAINING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-08-03 EP disclosed
US-6770662-B2 PLANT DISEASES; POWDERY MILDEW OF BARLEY, VEGETABLES, FRUITS AND FLOWERING PLANTS ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-08-03 US disclosed
US-20030216444-A1 Benzoylpyridine derivative or its salt, fungicide containing it as an active ingredient, its production process and intermediate for producing it ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-11-20 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-20030216444-A1 Benzoylpyridine derivative or its salt, fungicide containing it as an active ingredient, its production process and intermediate for producing it CBR1, KCNH1, CBR3 LMNA 4416/4885MAPT 4015/4885ALDH1A1 756/4885

“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.