SCHEMBL3062218

SCHEMBL3062218

O=C(OCc1cccc(C(F)(F)F)c1)C(Cc1ccccc1)C(=O)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PRKCA P17252 1/20 0.47
PRKCD Q05655 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
NR4A2 P43354 2/20 0.46
TACR1 P25103 1/20 0.46
GPR132 Q9UNW8 1/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
TBXAS1 P24557 2/20 0.46
TBXA2R P21731 1/20 0.46
USP2 O75604 2/20 0.45
CYP3A4 P08684 2/20 0.45
NR1I2 O75469 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45

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
SCHEMBL3075533 0.79 FFAR1 (0.46) KMT2ALMNATDP1PRKCAPRKCD
SCHEMBL971351 0.77 KMT2A (0.53) KMT2ALMNATDP1MEN1TBXAS1
SCHEMBL3062239 0.76 FFAR1 (0.47) KMT2ALMNATDP1PRKCAPRKCD
SCHEMBL6511843 0.76 MDM2 (0.62) KMT2ALMNATDP1MEN1TSHR
SCHEMBL6309762 0.74 PRKCA (0.46) KMT2APRKCAPRKCDNR4A2MEN1
SCHEMBL9602354 0.73 MEN1 (0.57) KMT2ARXFP1MEN1TSHRTBXAS1
Iodomethane SCHEMBL11489281 0.73 VNN1 (0.55) KMT2ALMNATDP1PRKCAPRKCD
SCHEMBL5750113 0.71 CETP (0.48) KMT2ALMNATDP1GPR132MEN1
SCHEMBL3076912 0.71 FFAR1 (0.43) KMT2ALMNATDP1PRKCAPRKCD
SCHEMBL3080052 0.71 KMT2A (0.50) KMT2ALMNARXFP1MEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US claimed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP claimed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO claimed
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US disclosed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP disclosed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO disclosed
WO-2005123727-A1 3-ARYL-3-HYDROXY- AND 3-ARYL-3-OXOPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-29 WO disclosed
US-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides ATP CAPITAL LP 2005-12-15 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 (2 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-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides CYP21A2, HAO1, AHR KMT2A 1213/4885LMNA 3281/4885TDP1 2709/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 KMT2A 4299/4885LMNA 516/4885TDP1 1816/4885

“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.