SCHEMBL5574666

SCHEMBL5574666

CCOC(=O)/C=C/c1cc(F)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.56
MAOB P27338 1/20 0.56
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
BACE1 P56817 1/20 0.50
ACHE P22303 3/20 0.49
BCHE P06276 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
AR P10275 1/20 0.49
JUN P05412 1/20 0.49
NFKB1 P19838 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
DPP4 P27487 2/20 0.47
TTR P02766 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL2690713 1.00 FDPS (0.56) FDPSMAOBKDM4EALDH1A1HPGD
SCHEMBL14143629 0.86 BACE1 (0.69) FDPSMAOBKDM4EALDH1A1HPGD
SCHEMBL31295136 0.85 MAOB (0.55) FDPSMAOBKDM4EMEN1KMT2A
SCHEMBL17722573 0.85 MAOB (0.60) FDPSMAOBKDM4EALDH1A1HPGD
SCHEMBL2389149 0.84 MAPT (0.60) FDPSMAOBKDM4EALDH1A1HPGD
SCHEMBL3327236 0.84 MAPT (0.60) FDPSMAOBKDM4EALDH1A1HPGD
SCHEMBL7111822 0.84 FDPS (0.55) FDPSMAOBKDM4EALDH1A1HPGD
SCHEMBL7111819 0.84 FDPS (0.55) FDPSMAOBKDM4EALDH1A1HPGD
SCHEMBL4519170 0.84 POLB (0.48) FDPSMAOBALDH1A1MEN1KMT2A
SCHEMBL4519172 0.84 POLB (0.48) FDPSMAOBALDH1A1MEN1KMT2A

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-20130123253-A1 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2013-05-16 US disclosed
US-8168635-B2 2-(aminomethyl)-5-phenyltetrahydrofuran; 4-(3,4-Dimethoxyphenyl)-2-[5-(2-{5-[2-(5-fluoro-2-methoxyphenyl)-ethyl]-tetrahydrofuran-2-yl}-ethylamino)-pentyl]-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one; dual inhibitor of serotonin reuptake and phosphodiesterase 4 (PDE4) enzyme activity HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-05-01 US disclosed
US-20080261967-A1 Modulators of Central Nervous System Neurotransmitters HUMAN BIOMOLECULAR RESEARCH INSTITUTE 2008-10-23 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 (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-20080261967-A1 Modulators of Central Nervous System Neurotransmitters GAP43, SLC18A2, CHRNA6 FDPS 1966/4885MAOB 162/4885KDM4E 4276/4885
US-20130123253-A1 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS GAP43, SLC18A2, CHRNA6 FDPS 1966/4885MAOB 162/4885KDM4E 4276/4885

“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.