SCHEMBL9058086

SCHEMBL9058086

COc1cc2cc(Br)c(=O)oc2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.53
GPR35 Q9HC97 2/20 0.52
MAOB P27338 4/20 0.47
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NQO1 P15559 1/20 0.44
ACHE P22303 4/20 0.43
BCHE P06276 2/20 0.43
XDH P47989 1/20 0.43
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL19147152 0.82 GPR35 (0.41) MCL1GPR35MAOBALDH1A1TSHR
SCHEMBL28374261 0.79 MCL1 (0.55) MCL1MAOBALDH1A1TSHRPPARG
SCHEMBL17768958 0.78 MCL1 (0.53) MCL1MAOBALDH1A1TSHRSMN1; SMN2
SCHEMBL9057890 0.77 CA2 (0.64) MAOBALDH1A1SMN1; SMN2RXFP1KDM4E
SCHEMBL4282429 0.77 MCL1 (0.49) MCL1NQO1ACHEBCHEMAOA
SCHEMBL2689564 0.77 CA12 (0.64) MAOBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL26035476 0.77 HSD17B3 (0.44) GPR35MAOBNQO1MAPTCA12
SCHEMBL1406281 0.76 GPR35 (0.67) GPR35MAOBALDH1A1KDM4EHPGD
SCHEMBL21457027 0.75 MAOA (0.44) MAOBKDM4EMAPTCA12CA1
SCHEMBL13740054 0.74 CA12 (0.66) GPR35MAOBALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3553054-B1 FLUORESCENT COUMARIN COMPOUNDS AND METHOD OF SYNTHESIS THEREOF UNIV EVORA (PT) 2023-01-11 EP disclosed
EP-3553054-A1 FLUORESCENT COUMARIN COMPOUNDS AND METHOD OF SYNTHESIS THEREOF Universidade de Évora (PT) 2019-10-16 EP disclosed
US-20170182023-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS, KITS AND/OR METHODS THEREOF SAVANNAH STATE UNIVERSITY 2017-06-29 US disclosed
US-9532983-B2 Benzofuran compounds, compositions, kits and/or methods thereof SAVANNAH STATE UNIVERSITY (US) 2017-01-03 US disclosed
US-20150133498-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS, KITS AND/OR METHODS THEREOF SAVANNAH STATE UNIVERSITY 2015-05-14 US disclosed
WO-1996012718-A1 NOUVELLES 2-[1-(φ-PHENOXYALCOYLPIPERIDIN-4-YL)AMINOMETHYLENE]-2H-BENZOFURAN-3-ONES SUBSTITUEES, LEUR PREPARATION ET LEUR APPLICATION EN THERAPEUTIQUE PIERRE FABRE MEDICAMENT (FR) 1996-05-02 WO 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-20150133498-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS, KITS AND/OR METHODS THEREOF SIGMAR1, OPRM1, OPRL1 MCL1 3753/4885GPR35 175/4885MAOB 357/4885
US-20170182023-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS, KITS AND/OR METHODS THEREOF SIGMAR1, OPRM1, OPRL1 MCL1 3753/4885GPR35 175/4885MAOB 357/4885

“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.