SCHEMBL21176407

SCHEMBL21176407

CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCOc1ccc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.37
S1PR1 P21453 3/20 0.36
S1PR3 Q99500 3/20 0.36
S1PR4 O95977 2/20 0.36
CNR2 P34972 5/20 0.36
S1PR5 Q9H228 1/20 0.35
ALDH2 P05091 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TLR2 O60603 2/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
NLRP3 Q96P20 1/20 0.33
NDUFS8 O00217 2/20 0.33
COXFA4 O00483 2/20 0.33
NDUFAB1 O14561 2/20 0.33
NDUFA1 O15239 2/20 0.33
NDUFS4 O43181 2/20 0.33
NDUFB5 O43674 2/20 0.33
NDUFB3 O43676 2/20 0.33

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
SCHEMBL39389 1.00 DGKA (0.37) DGKAS1PR1S1PR3S1PR4CNR2
SCHEMBL29880580 1.00 DGKA (0.37) DGKAS1PR1S1PR3S1PR4CNR2
SCHEMBL29413921 1.00 DGKA (0.37) DGKAS1PR1S1PR3S1PR4CNR2
SCHEMBL984668 0.97 DGKA (0.34) DGKAS1PR1S1PR3S1PR4CNR2
SCHEMBL12679255 0.95 MEN1 (0.35) ALDH2MAOAMAOBESR1ESR2
SCHEMBL26025226 0.95 CNR2 (0.37) DGKAS1PR1S1PR3S1PR4CNR2
SCHEMBL13525823 0.93 ALDH2 (0.35) CNR2ALDH2MAOAMAOBTLR2
SCHEMBL2612432 0.93 KMT2A (0.34) ALDH2MAOAMAOBESR1ESR2
SCHEMBL14175644 0.92 ALDH2 (0.34) CNR2ALDH2MAOAMAOB
SCHEMBL23487143 0.92 CNR2 (0.32) DGKAS1PR1S1PR3S1PR4CNR2

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
US-11739200-B2 3-phenyl-3H-1-benzofuran-2-one compounds and compositions comprising the same MILLIKEN & COMPANY (US) 2023-08-29 US disclosed
CN-111670214-B 3-phenyl-3H-1-benzofuran-2-one compounds and compositions comprising the same 美利肯公司 2022-08-16 CN disclosed
US-20210171747-A1 3-PHENYL-3H-1-BENZOFURAN-2-ONE COMPOUNDS AND COMPOSITIONS COMPRISING THE SAME MILLIKEN & COMPANY 2021-06-10 US disclosed
US-10947370-B2 3-phenyl-3H-1-benzofuran-2-one compounds and compositions comprising the same MILLIKEN & COMPANY (US) 2021-03-16 US disclosed
CN-111670214-A 3-phenyl-3H-1-benzofuran-2-one compounds and compositions comprising the same 美利肯公司 2020-09-15 CN disclosed
US-20190225780-A1 3-PHENYL-3H-1-BENZOFURAN-2-ONE COMPOUNDS AND COMPOSITIONS COMPRISING THE SAME MILLIKEN & COMPANY 2019-07-25 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 (4 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-20210171747-A1 3-PHENYL-3H-1-BENZOFURAN-2-ONE COMPOUNDS AND COMPOSITIONS COMPRISING THE SAME PAH, TRPV1, CBR1 DGKA 3845/4885S1PR1 3550/4885S1PR3 2989/4885
US-10947370-B2 3-phenyl-3H-1-benzofuran-2-one compounds and compositions comprising the same PAH, TRPV1, CBR1 DGKA 3845/4885S1PR1 3550/4885S1PR3 2989/4885
US-11739200-B2 3-phenyl-3H-1-benzofuran-2-one compounds and compositions comprising the same PAH, TRPV1, CBR1 DGKA 3845/4885S1PR1 3550/4885S1PR3 2989/4885
US-20190225780-A1 3-PHENYL-3H-1-BENZOFURAN-2-ONE COMPOUNDS AND COMPOSITIONS COMPRISING THE SAME PAH, TRPV1, CBR1 DGKA 3845/4885S1PR1 3550/4885S1PR3 2989/4885

“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.