SCHEMBL18242519

SCHEMBL18242519

CC(C)C([O])c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.39
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
DAO P14920 1/20 0.39
HTT P42858 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TRPA1 O75762 1/20 0.38
ACHE P22303 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
SCHEMBL1046731 0.79 IDO1 (0.42) AOC3IDO1TDO2DAOHTT
SCHEMBL18242442 0.77 CHRNA7 (0.42) CES2CES1ACHEALDH1A1GAA
SCHEMBL18242046 0.77 CYP1A2 (0.45) CES2CES1ALDH1A1KMT2A
SCHEMBL7129754 0.75 IDO1 (0.48) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL18378426 0.75 ADRB2 (0.52) AOC3IDO1TDO2HDAC4HDAC7
SCHEMBL18378239 0.75 ACACB (0.39) CES2CES1
SCHEMBL18243822 0.75 PDE2A (0.47) CES2CES1
SCHEMBL10159881 0.74 IDO1 (0.42) AOC3IDO1TDO2DAOHTT
SCHEMBL10157190 0.74 IDO1 (0.42) AOC3IDO1TDO2DAOHTT
SCHEMBL3381285 0.74 TAAR1 (0.44) AOC3CES2CES1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 AOC3 165/4885IDO1 3306/4885TDO2 252/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 AOC3 165/4885IDO1 3306/4885TDO2 252/4885

“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.