SCHEMBL4595702

SCHEMBL4595702

COc1cc(C)c(C(=O)c2cnccc2C(F)(F)F)c(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
GPBAR1 Q8TDU6 2/20 0.40
MAOA P21397 2/20 0.39
ADRB2 P07550 1/20 0.39
S1PR1 P21453 1/20 0.39
GPR183 P32249 1/20 0.39
APLNR P35414 1/20 0.39
S1PR5 Q9H228 1/20 0.39
CYP3A4 P08684 3/20 0.39
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
DGAT2 Q96PD7 1/20 0.38
CYP1A2 P05177 4/20 0.37
CYP1A1 P04798 2/20 0.37
CYP1B1 Q16678 2/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
POLQ O75417 1/20 0.37
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 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
SCHEMBL677164 0.80 ALDH1A1 (0.36) MAPTGPBAR1CYP3A4POLBCYP1A2
SCHEMBL4595560 0.78 MAPT (0.39) MAPTCYP3A4CYP1A2CYP2D6KDM4E
SCHEMBL676827 0.77 AURKA (0.45) MAPTGPBAR1CYP3A4POLBCYP1A2
SCHEMBL677209 0.77 MAPT (0.40) MAPTCYP3A4CYP1A2CYP2D6HTR2C
SCHEMBL4595459 0.76 LMNA (0.35) MAPTCYP3A4NPC1CYP1A2KDM4E
SCHEMBL6740161 0.76 ALDH1A1 (0.39) MAPTCYP3A4POLBCYP1A2KDM4E
SCHEMBL6738081 0.76 ALDH1A1 (0.44) MAPTCYP3A4POLBCYP1A2KDM4E
SCHEMBL28283950 0.75 CYP1A1 (0.58) MAPTCYP3A4POLBCYP1A2CYP1A1
SCHEMBL675121 0.75 AURKA (0.43) MAPTCYP3A4CYP1A2CYP2D6KDM4E
SCHEMBL675367 0.74 MAPT (0.37) MAPTCYP3A4CYP1A2CYP2D6KDM4E

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 6 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
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
EP-1296952-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) 2003-04-02 EP disclosed
WO-2002002527-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) 2002-01-10 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-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 MAPT 4015/4885GPBAR1 4222/4885MAOA 855/4885

“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.