SCHEMBL4397765

SCHEMBL4397765

O=C(O)c1cc2oc(-c3ccccc3OC(F)(F)F)cc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
FFAR1 O14842 1/20 0.42
MAP2 P11137 1/20 0.40
DAO P14920 2/20 0.39
RHEB Q15382 2/20 0.39
SCN9A Q15858 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SRD5A2 P31213 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
GRIA1 P42261 1/20 0.37
CACNG8 Q8WXS5 1/20 0.37
EP300 Q09472 1/20 0.37
DHODH Q02127 1/20 0.37

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
SCHEMBL27350271 0.75 DAO (0.50) ALDH1A1L3MBTL1FFAR1DAORHEB
SCHEMBL29941707 0.71 ALDH1A1 (0.77) ALDH1A1L3MBTL1NPSR1MAPTKDM4E
SCHEMBL15312177 0.71 SRD5A2 (0.59) ALDH1A1DAORHEBPOLBMAPT
SCHEMBL3875107 0.71 ALDH1A1 (0.77) ALDH1A1L3MBTL1NPSR1MAPTKDM4E
SCHEMBL29761766 0.71 SRD5A2 (0.59) ALDH1A1DAORHEBPOLBMAPT
SCHEMBL4180872 0.70 HPGD (0.57) ALDH1A1L3MBTL1POLBMAPTKDM4E
SCHEMBL13949499 0.69 PIN1 (0.49) ALDH1A1DAOMAPTKDM4EHPGD
SCHEMBL23395630 0.69 PTPN1 (0.49) ALDH1A1L3MBTL1POLBNPSR1KDM4E
SCHEMBL1244211 0.68 DAO (0.47) ALDH1A1DAOMAPTKDM4ESRD5A2
Lithium SCHEMBL30975927 0.68 ALDH1A1 (0.52) ALDH1A1L3MBTL1SCN9AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306169-A1 Use of Fused Pyrrole Carboxylic Acids for the Treatment of Neurodegenerative and Psychiatric Diseases and D-Amino Acid Oxidase Inhibitors BRANDISH PHILIP E 2009-12-10 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 (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-20090306169-A1 Use of Fused Pyrrole Carboxylic Acids for the Treatment of Neurodegenerative and Psychiatric Diseases and D-Amino Acid Oxidase Inhibitors DAO, DDO, MAOB ALDH1A1 337/4885L3MBTL1 4422/4885FFAR1 1929/4885

“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.