SCHEMBL5094449

SCHEMBL5094449

CC/C(=C\c1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.55
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
PPARG P37231 1/20 0.46
MAOB P27338 3/20 0.46
NFE2L2 Q16236 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
P4HB P07237 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43

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
SCHEMBL5094454 1.00 EPHX2 (0.55) EPHX2PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL27563647 0.99 EPHX2 (0.54) EPHX2PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL5095500 0.99 EPHX2 (0.54) EPHX2PSEN1PSEN2APH1BNCSTN
SCHEMBL5095494 0.87 NFE2L2 (0.43) EPHX2MAOBNFE2L2MEN1KMT2A
SCHEMBL5096731 0.82 EPHX2 (0.49) EPHX2PSEN1PSEN2APH1BNCSTN
SCHEMBL5096721 0.82 EPHX2 (0.49) EPHX2PSEN1PSEN2APH1BNCSTN
SCHEMBL9903274 0.81 EPHX2 (0.56) EPHX2PSEN1PSEN2APH1BNCSTN
SCHEMBL9903269 0.81 EPHX2 (0.56) EPHX2PSEN1PSEN2APH1BNCSTN
SCHEMBL5004361 0.80 AKR1C3 (0.58) MAOBNFE2L2MEN1KMT2AP4HB
SCHEMBL15890993 0.80 MAPT (0.53) EPHX2PPARGNFE2L2MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402548-B2 Benzoxazole compounds, process for producing the same and herbicides KYOYU AGRI CO., LTD. (JP) 2008-07-22 US disclosed
US-7402548-B2 Benzoxazole compounds, process for producing the same and herbicides KYOYU AGRI CO., LTD. (JP) 2008-07-22 US disclosed
US-7402548-B2 Benzoxazole compounds, process for producing the same and herbicides KYOYU AGRI CO., LTD. (JP) 2008-07-22 US disclosed
EP-1637525-B1 Benzoxazole compound, process for producing the same, and herbicides KYOYU AGRI CO LTD (JP) 2007-12-19 EP disclosed
EP-1637525-B1 Benzoxazole compound, process for producing the same, and herbicides KYOYU AGRI CO LTD (JP) 2007-12-19 EP disclosed
EP-1681287-A1 Benzoxazole compounds, process for producing the same, and herbicides Ube Industries, Ltd. (JP) 2006-07-19 EP disclosed
EP-1681286-A1 Benzoxazole compounds, process for producing the same, and herbicides Ube Industries, Ltd. (JP) 2006-07-19 EP disclosed
EP-1637525-A1 Benzoxazole compound, process for producing the same, and herbicides Ube Industries, Ltd. (JP) 2006-03-22 EP disclosed
US-20050233909-A1 Benzoxazole compounds, process for producing the same and herbicides UBE INDUSTRIES, LTD. (JP) 2005-10-20 US disclosed
US-6844295-B2 Benzoxazole compound, process for producing the same, and herbicide UBE INDUSTRIES, LTD. (JP) 2005-01-18 US disclosed
US-20040014977-A1 Benzoxazole compound, process for producing the same, and herbicide KYOYU AGRI CO., LTD. (JP) 2004-01-22 US disclosed
EP-1302466-A1 BENZOXAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND HERBICIDE Ube Industries, Ltd. (JP) 2003-04-16 EP 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-20050233909-A1 Benzoxazole compounds, process for producing the same and herbicides CBR3, CBR1, CYP4X1 EPHX2 587/4885PSEN1 4541/4885PSEN2 4579/4885
US-20040014977-A1 Benzoxazole compound, process for producing the same, and herbicide CBR1, CBR3, CYP4X1 EPHX2 419/4885PSEN1 4580/4885PSEN2 4546/4885

“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.