SCHEMBL17227908

SCHEMBL17227908

Cc1ccc2c(c1)C=CC(c1ccccc1)O2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.41
▸ MAOB P27338 3/20 0.39
▸ CYP19A1 P11511 2/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ ALDH2 P05091 1/20 0.35
▸ SIRT2 Q8IXJ6 2/20 0.34
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL17227891 1.00 GAA (0.41) GAAMAOBCYP19A1PTGS2NFKB1
SCHEMBL25191819 1.00 GAA (0.41) GAAMAOBCYP19A1PTGS2NFKB1
SCHEMBL25264720 0.87 NFKB1 (0.45) GAAMAOBCYP19A1NFKB1NFKB2
SCHEMBL25188329 0.87 NFKB1 (0.45) GAAMAOBCYP19A1NFKB1NFKB2
SCHEMBL25194034 0.84 CYP19A1 (0.38) CYP19A1PTGS2NFKB1NFKB2RELA
SCHEMBL3435780 0.84 CYP19A1 (0.38) CYP19A1PTGS2NFKB1NFKB2RELA
SCHEMBL25187867 0.84 CYP19A1 (0.38) CYP19A1PTGS2NFKB1NFKB2RELA
SCHEMBL25192428 0.82 NFKB1 (0.40) MAOBNFKB1NFKB2RELA
SCHEMBL25192429 0.82 NFKB1 (0.40) MAOBNFKB1NFKB2RELA
SCHEMBL25201323 0.81 MAOB (0.40) MAOBCYP19A1NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11952358-B2 Flavan-3-ol analogs and anti-inflammatory activity HONG KONG BAPTIST UNIVERSITY (CN) 2024-04-09 — — US disclosed
US-20230159482-A1 FLAVAN-3-OL ANALOGS AND ANTI-INFLAMMATORY ACTIVITY HONG KONG BAPTIST UNIVERSITY (CN) 2023-05-25 — — US disclosed
US-20180099943-A1 Catalytic Enantioselective Synthesis of 2-Aryl Chromenes and Related Phosphoramidite Ligands and Catalyst Compounds NORTHWESTERN UNIVERSITY 2018-04-12 — — US disclosed
US-9840487-B2 Catalytic enantioselective synthesis of 2-aryl chromenes and related phosphoramidite ligands and catalyst compounds NORTHWESTERN UNIVERSITY (US) 2017-12-12 — — US disclosed
US-20170217919-A1 Catalytic Enantioselective Synthesis of 2-Aryl Chromenes and Related Phosphoramidite Ligands and Catalyst Compounds NORTHWESTERN UNIVERSITY 2017-08-03 — — US disclosed
US-9624190-B2 Catalytic enantioselective synthesis of 2-aryl chromenes and related phosphoramidite ligands and catalyst compounds NORTHWESTERN UNIVERSITY (US) 2017-04-18 — — US disclosed
US-20160221982-A1 Catalytic Enantioselective Synthesis of 2-Aryl Chromenes and Related Phosphoramidite Ligands and Catalyst Compounds NORTHWESTERN UNIVERSITY 2016-08-04 — — US disclosed
US-9309217-B2 Catalytic enantioselective synthesis of 2-aryl chromenes and related phosphoramidite ligands and catalyst compounds NORTHWESTERN UNIVERSITY (US) 2016-04-12 — — US disclosed
US-20150315168-A1 Catalytic Enantioselective Synthesis of 2-Aryl Chromenes and Related Phosphoramidite Ligands and Catalyst Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 — — 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 (6 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-20170217919-A1 Catalytic Enantioselective Synthesis of 2-Aryl Chromenes and Related Phosphoramidite Ligands and Catalyst Compounds PNP, PPA1, CDS2 GAA 982/4885MAOB 927/4885CYP19A1 258/4885
US-11952358-B2 Flavan-3-ol analogs and anti-inflammatory activity IL1A, IL6, IL1B GAA 1562/4885MAOB 2663/4885CYP19A1 1986/4885
US-20160221982-A1 Catalytic Enantioselective Synthesis of 2-Aryl Chromenes and Related Phosphoramidite Ligands and Catalyst Compounds PNP, PPA1, CDS2 GAA 982/4885MAOB 927/4885CYP19A1 258/4885
US-20150315168-A1 Catalytic Enantioselective Synthesis of 2-Aryl Chromenes and Related Phosphoramidite Ligands and Catalyst Compounds PNP, PPA1, CDS2 GAA 982/4885MAOB 927/4885CYP19A1 258/4885
US-20230159482-A1 FLAVAN-3-OL ANALOGS AND ANTI-INFLAMMATORY ACTIVITY IL1A, IL6, IL1B GAA 1562/4885MAOB 2663/4885CYP19A1 1986/4885
US-20180099943-A1 Catalytic Enantioselective Synthesis of 2-Aryl Chromenes and Related Phosphoramidite Ligands and Catalyst Compounds PNP, PPA1, CDS2 GAA 982/4885MAOB 927/4885CYP19A1 258/4885

“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.

Send feedback