SCHEMBL8089080

SCHEMBL8089080

COc1ccc(C2=c3cc4c(cc3OC2=O)=C(c2ccccc2)C(=O)O4)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.47
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ABCB1 P08183 2/20 0.44
ME2 P23368 1/20 0.44
ME1 P48163 1/20 0.44
ME3 Q16798 1/20 0.44
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
GSK3B P49841 1/20 0.43
PDE4B Q07343 1/20 0.43

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
SCHEMBL17432753 0.95 ME2 (0.47) BACE1NPC1RAB9AMAPTTP53
SCHEMBL17430475 0.89 ALKBH3 (0.47) NPC1RAB9AMAPTME2ME1
SCHEMBL17432766 0.88 ME2 (0.44) NR1H2NR1H3NPC1RAB9AMAPT
SCHEMBL17432764 0.86 ME2 (0.42) NR1H2NR1H3NPC1RAB9AMAPT
SCHEMBL17430478 0.85 CYP19A1 (0.51) NPC1RAB9AMAPTTSHRSMN1; SMN2
SCHEMBL10089222 0.85 PTGS2 (0.47) MAPTMEN1KMT2APDE4BKDM4E
SCHEMBL14582098 0.84 ALDH1A1 (0.49) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL10378529 0.83 LSS (0.41) RAB9AMAPTEGFR
SCHEMBL17432762 0.83 GSTP1 (0.53) NPC1RAB9AMAPTSMN1; SMN2CYP19A1
SCHEMBL11209183 0.82 NR1H2 (0.39) BACE1NR1H2NR1H3MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2704683-B1 CHROMOPHORES WITH PERFLUOROALKYL SUBSTITUENTS BASF SE (DE) 2017-10-18 EP disclosed
US-9388206-B2 Chromophores with perfluoroalkyl substituents BASF SE (DE) 2016-07-12 US disclosed
US-20140103635-A1 CHROMOPHORES WITH PERFLUOROALKYL SUBSTITUENTS BASF SE (DE) 2014-04-17 US disclosed
US-6013811-A Preparation process of benzodifuranone dyes BASF AKTIENGESELLSCHAFT (DE) 2000-01-11 US disclosed
EP-0888408-A1 PREPARATION PROCESS OF BENZODIFURANONE DYES BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
US-5717112-A Benzofuranone and benzodifuranone compounds ZENECA LIMITED (GB) 1998-02-10 US disclosed
EP-0669922-B1 BENZOFURANONES, BENZODIFURANTRIONES AND PROCESSES FOR THE PREPARATION OF BENZODIFURANDIONES BASF AG (DE) 1997-08-20 EP disclosed
WO-1997028221-A1 PREPARATION PROCESS OF BENZODIFURANONE DYES BASF AKTIENGESELLSCHAFT (DE) 1997-08-07 WO disclosed
US-5625080-A Benzodifurantrione compounds and process ZENECA LIMITED (GB) 1997-04-29 US disclosed
EP-0669922-A1 BENZOFURANONE AND BENZODIFURANTRIONE DERIVATIVES AND PROCESS FOR THE PREPARATION OF BENZODIFURANONES. ZENECA LTD (GB) 1995-09-06 EP disclosed
WO-1994012501-A1 BENZOFURANONE AND BENZODIFURANTRIONE DERIVATIVES AND PROCESS FOR THE PREPARATION OF BENZODIFURANONES ZENECA LIMITED (GB) 1994-06-09 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 (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-20140103635-A1 CHROMOPHORES WITH PERFLUOROALKYL SUBSTITUENTS RBP4, RBP1, FABP5 BACE1 4867/4885NR1H2 998/4885NR1H3 1161/4885

“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.