SCHEMBL1990301

SCHEMBL1990301

C[C](C)c1c(F)cccc1F

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.55
CES1 P23141 3/20 0.55
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.40
ERN1 O75460 1/20 0.39
ACHE P22303 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.38
BCHE P06276 1/20 0.37
HTT P42858 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
NOD2 Q9HC29 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
SCHEMBL7924194 0.78 CES2 (0.50) CES2CES1TDP1KMT2ALMNA
SCHEMBL167447 0.78 CES2 (0.64) CES2CES1TDP1KMT2ALMNA
Iodide SCHEMBL6190800 0.76 CES2 (0.48) CES2CES1TDP1KMT2ALMNA
SCHEMBL4083439 0.75 CES2 (0.60) CES2CES1TDP1KMT2ALMNA
SCHEMBL16955585 0.74 CES2 (0.39) CES2CES1BCHE
SCHEMBL19967276 0.74 CES2 (0.46) CES2CES1TDP1KMT2ALMNA
SCHEMBL14302194 0.72 CES2 (0.50) CES2CES1TDP1KMT2ALMNA
SCHEMBL8257722 0.71 THRB (0.46) CES2CES1TDP1KMT2ALMNA
SCHEMBL15172878 0.71 ACHE (0.46) CES2CES1TDP1KMT2ALMNA
SCHEMBL22790321 0.71 ACHE (0.46) CES2CES1TDP1KMT2ALMNA

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 4 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
US-8476197-B2 Aminopropenoates as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-02 US disclosed
US-20110152322-A1 Aminopropenoates as Fungicides BAYER CROPSCIENCE AG (DE) 2011-06-23 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 (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-20110152322-A1 Aminopropenoates as Fungicides AASDHPPT, DAO, AAAS CES2 1011/4885CES1 1793/4885TDP1 846/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 CES2 1419/4885CES1 1075/4885TDP1 3467/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 CES2 1419/4885CES1 1075/4885TDP1 3467/4885

“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.