SCHEMBL6357822

SCHEMBL6357822

COC(=O)C(=O)c1c(C)cccc1F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
POLB P06746 2/20 0.48
RAB9A P51151 2/20 0.42
KRAS P01116 1/20 0.40
IL2 P60568 1/20 0.39
ACHE P22303 1/20 0.39
KMT2A Q03164 3/20 0.39
HDAC4 P56524 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL10441887 0.89 CES2 (0.64) CES2CES1POLBRAB9AKMT2A
SCHEMBL7598628 0.87 CA12 (0.43) RAB9ANPC1GAA
SCHEMBL8056782 0.81 CA12 (0.53) CES2CES1POLBRAB9AKRAS
SCHEMBL30632216 0.81 CA12 (0.53) CES2CES1POLBRAB9AKRAS
SCHEMBL6359374 0.79 CES2 (0.56) CES2CES1ACHEKMT2AHDAC4
SCHEMBL6355686 0.79 POLB (0.46) CES2CES1POLBRAB9AKRAS
SCHEMBL15445363 0.79 ALDH1A1 (0.39) RAB9ANPC1
SCHEMBL9700205 0.76 CES2 (0.50) CES2CES1RAB9AKRASIL2
SCHEMBL12160758 0.75 CES2 (0.54) CES2CES1POLBACHEKMT2A
SCHEMBL544028 0.75 CES2 (0.54) CES2CES1ACHEKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124498-A1 Halobenzyl substituted phenylaceto esters and amides and use thereof for prevention of harmful organisms BAYER CROPSCIENCE AG (DE) 2005-06-09 US disclosed
EP-1483248-A1 HALOBENZYL SUBSTITUTED PHENYLACETO ESTERS AND AMIDES AND USE THEREOF FOR PREVENTION OF HARMFUL ORGANISMS Bayer CropScience Aktiengesellschaft (DE) 2004-12-08 EP disclosed
WO-2003074496-A1 HALOBENZYL SUBSTITUTED PHENYLACETO ESTERS AND AMIDES AND USE THEREOF FOR PREVENTION OF HARMFUL ORGANISMS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-09-12 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-20050124498-A1 Halobenzyl substituted phenylaceto esters and amides and use thereof for prevention of harmful organisms HDHD5, GNPAT, PGLS CES2 62/4885CES1 155/4885POLB 265/4885

“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.