SCHEMBL5366819

SCHEMBL5366819

CCOC(=O)/C=C/c1ccc(F)c(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.73
FDPS P14324 2/20 0.70
BACE1 P56817 2/20 0.62
TTR P02766 2/20 0.59
DPP4 P27487 1/20 0.59
CYP3A4 P08684 1/20 0.57
ACHE P22303 4/20 0.57
BCHE P06276 3/20 0.57
CA12 O43570 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
EPHX2 P34913 1/20 0.52
ALOX5 P09917 1/20 0.52
MET P08581 2/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52

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
SCHEMBL5353419 1.00 MAOB (0.73) MAOBFDPSBACE1TTRDPP4
SCHEMBL30594189 0.89 FDPS (0.70) MAOBFDPSTTRDPP4CYP3A4
SCHEMBL3678457 0.89 FDPS (0.70) MAOBFDPSTTRDPP4CYP3A4
SCHEMBL3678458 0.89 FDPS (0.70) MAOBFDPSTTRDPP4CYP3A4
SCHEMBL31087309 0.87 FDPS (0.84) MAOBFDPSTTRDPP4ACHE
SCHEMBL8046247 0.87 FDPS (0.84) MAOBFDPSTTRDPP4ACHE
SCHEMBL28859350 0.87 FDPS (0.84) MAOBFDPSTTRDPP4ACHE
SCHEMBL28859349 0.87 FDPS (0.84) MAOBFDPSTTRDPP4ACHE
SCHEMBL8046251 0.87 FDPS (0.84) MAOBFDPSTTRDPP4ACHE
SCHEMBL30740002 0.86 MAOB (0.77) MAOBFDPSTTRDPP4CYP3A4

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
US-20210139414-A1 NOVEL BENZYLIDENEACETONE DERIVATIVE AND USE THEREOF KORPHARM CO., LTD. (KR) 2021-05-13 US disclosed
EP-2697204-B1 FLUORINATION OF ORGANIC COMPOUNDS HARVARD COLLEGE (US) 2017-03-08 EP disclosed
US-9150516-B2 Fluorination of organic compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-10-06 US disclosed
US-20120316341-A1 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-12-13 US disclosed
WO-2012142162-A2 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-10-18 WO disclosed
US-7217723-B2 Substituted benzothiophenes, e.g., 7Z)-7-hydroxyimino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide; treating allergies such as atopic dermatitis, allergic coryza, bronchial asthma, hypersensitive pneumoniac and pulmonary aspergillosis. EISAI CO., LTD. (JP) 2007-05-15 US disclosed
US-20050227959-A1 Heterocyclic compound having oxime group EISAI CO., LTD. (JP) 2005-10-13 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-20210139414-A1 NOVEL BENZYLIDENEACETONE DERIVATIVE AND USE THEREOF EBP, CREBBP, BPTF MAOB 2043/4885FDPS 2944/4885BACE1 840/4885
US-20120316341-A1 FLUORINATION OF ORGANIC COMPOUNDS SLCO1B3, SLCO2B1, FLI1 MAOB 155/4885FDPS 38/4885BACE1 2703/4885
US-20050227959-A1 Heterocyclic compound having oxime group STAT6, HRH4, HRH2 MAOB 913/4885FDPS 3297/4885BACE1 3364/4885

“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.