SCHEMBL2799017

SCHEMBL2799017

Fc1ccc(C=C(CCl)c2cc(F)c(F)cc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TRPA1 O75762 4/20 0.34
ABCB11 O95342 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
PTGS1 P23219 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
FBP1 P09467 1/20 0.33
NFE2L2 Q16236 2/20 0.33
PTGS2 P35354 1/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32
CES2 O00748 1/20 0.32

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
SCHEMBL2799013 1.00 MAPT (0.41) MAPTMEN1LMNACYP1A2CYP2C9
SCHEMBL3766821 0.82 HPGD (0.41) MAPTMEN1LMNACYP1A2CYP2C9
SCHEMBL3660731 0.82 HPGD (0.41) MAPTMEN1LMNACYP1A2CYP2C9
SCHEMBL3767511 0.81 ALDH1A1 (0.41) MAPTMEN1LMNACYP1A2CYP2C9
SCHEMBL3767517 0.81 ALDH1A1 (0.41) MAPTMEN1LMNACYP1A2CYP2C9
SCHEMBL3124324 0.80 MAOB (0.43) MAPTMEN1LMNACYP1A2CYP2C9
SCHEMBL3124317 0.80 MAOB (0.43) MAPTMEN1LMNACYP1A2CYP2C9
SCHEMBL3769276 0.80 CES2 (0.40) TRPA1PTGS1NFE2L2CES2CES1
SCHEMBL3769281 0.80 CES2 (0.40) TRPA1PTGS1NFE2L2CES2CES1
SCHEMBL3659671 0.79 ALDH1A1 (0.42) MAPTMEN1LMNACYP1A2CYP2C9

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-20120225777-A1 Azolylmethyloxiranes, Their Use for Controlling Phytopathogenic Fungi and Compositions Comprising Them BASF SE (DE) 2012-09-06 US disclosed
US-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-16 US disclosed
US-20100167924-A1 Azolylmethyloxiranes, Their Use for Controlling Phytopathogenic Fungi and Compositions Comprising Them BASF SE (DE) 2010-07-01 US disclosed
EP-2035414-A1 AZOLYLMETHYLOXIRANES, THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI AND COMPOSITIONS COMPRISING THEM BASF SE (DE) 2009-03-18 EP disclosed
WO-2007147769-A1 AZOLYLMETHYLOXIRANES, THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI AND COMPOSITIONS COMPRISING THEM BASF SE (DE) 2007-12-27 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 (3 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-20100167924-A1 Azolylmethyloxiranes, Their Use for Controlling Phytopathogenic Fungi and Compositions Comprising Them PFAS, CBR3, CBR1 MAPT 4097/4885MEN1 2158/4885LMNA 4009/4885
US-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, NOX5, TET1 MAPT 3389/4885MEN1 1724/4885LMNA 4209/4885
US-20120225777-A1 Azolylmethyloxiranes, Their Use for Controlling Phytopathogenic Fungi and Compositions Comprising Them PFAS, CBR3, CBR1 MAPT 4141/4885MEN1 2095/4885LMNA 4009/4885

“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.