SCHEMBL17859642

SCHEMBL17859642

CC(=O)N(c1ccc(F)cc1F)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.40
CES2 O00748 3/20 0.40
CES1 P23141 3/20 0.40
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PKM P14618 2/20 0.37
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 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
SCHEMBL4699159 0.85 PSEN1 (0.39) CES2CES1HTTMAPTMEN1
SCHEMBL9339071 0.81 MLYCD (0.47) RECQL
SCHEMBL27536285 0.77 PSEN1 (0.39) CES2CES1HTTMAPTMEN1
SCHEMBL7002940 0.77 FSCN1 (0.49) ADORA2BCES2CES1HTTMAPT
SCHEMBL13915059 0.74 S100A4 (0.45) ADORA2BCES2CES1MAPTMEN1
SCHEMBL7746135 0.74 PSEN1 (0.38) CES2CES1HTTMAPTMEN1
SCHEMBL22187115 0.72 MAPT (0.33) HTTMAPTMEN1HPGDKMT2A
SCHEMBL22187113 0.72 MAPT (0.33) HTTMAPTMEN1HPGDKMT2A
SCHEMBL6451749 0.72 CYP3A4 (0.46) ADORA2BCES2CES1HTTMEN1
SCHEMBL8222920 0.72 DDB1 (0.40) CES2CES1HTTMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3235799-B1 OXIME COMPOUND AND HERBICIDE NISSAN CHEMICAL CORP (JP) 2022-02-23 EP disclosed
US-11000033-B2 Ketone or oxime compound, and herbicide NISSAN CHEMICAL CORPORATION (JP) 2021-05-11 US disclosed
US-20190053488-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE NISSAN CHEMICAL CORPORATION (JP) 2019-02-21 US disclosed
US-20170347647-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-12-07 US disclosed
US-20170347647-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-12-07 US disclosed
EP-3235799-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2017-10-25 EP disclosed
WO-2016098899-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE 日産化学工業株式会社 2016-06-23 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-11000033-B2 Ketone or oxime compound, and herbicide OR10J3, CYP1B1, CBR3 ADORA2B 1379/4885CES2 1690/4885CES1 1076/4885
US-20190053488-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE OR10J3, CYP1B1, CBR3 ADORA2B 1400/4885CES2 1723/4885CES1 1080/4885
US-20170347647-A1 KETONE OR OXIME COMPOUND, AND HERBICIDE OR10J3, CYP1B1, CBR3 ADORA2B 1400/4885CES2 1723/4885CES1 1080/4885

“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.