SCHEMBL25199277

SCHEMBL25199277

COc1cc2c(cc1OC)O[C@H](c1ccccc1)[C@@H](O)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.52
MAPK1 P28482 4/20 0.52
DPP4 P27487 1/20 0.46
ABCB1 P08183 3/20 0.45
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
MEN1 O00255 1/20 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
SCHEMBL30991587 0.82 CYP3A4 (0.57) CYP3A4MAPK1ABCB1MAPTKDM4E
SCHEMBL25199321 0.82 GABRA1 (0.58) CYP3A4MAPK1ABCB1MAPTKDM4E
SCHEMBL25194801 0.82 CYP3A4 (0.57) CYP3A4MAPK1ABCB1MAPTKDM4E
SCHEMBL25183297 0.81 KDM4E (0.46) CYP3A4MAPK1MAPTKDM4EALDH1A1
SCHEMBL25187247 0.77 CYP3A4 (0.43) CYP3A4MAPK1ABCB1MAPTTHRB
SCHEMBL25192829 0.77 CYP3A4 (0.59) CYP3A4MAPK1DPP4ABCB1MAPT
SCHEMBL25192661 0.77 CYP3A4 (0.51) CYP3A4MAPK1MAPTKDM4EALDH1A1
SCHEMBL25190038 0.77 MAOB (0.47) CYP3A4MAPK1MAPTKDM4EALDH1A1
SCHEMBL25203257 0.76 MAPT (0.42) CYP3A4MAPK1MAPTTHRBKDM4E
SCHEMBL1659934 0.75 CYP3A4 (0.48) CYP3A4MAPK1MAPTKDM4EALDH1A1

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 4 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-20230159482-A1 FLAVAN-3-OL ANALOGS AND ANTI-INFLAMMATORY ACTIVITY HONG KONG BAPTIST UNIVERSITY (CN) 2023-05-25 US disclosed
US-20230159482-A1 FLAVAN-3-OL ANALOGS AND ANTI-INFLAMMATORY ACTIVITY HONG KONG BAPTIST UNIVERSITY (CN) 2023-05-25 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 (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-11952358-B2 Flavan-3-ol analogs and anti-inflammatory activity IL1A, IL6, IL1B CYP3A4 965/4885MAPK1 222/4885DPP4 1871/4885
US-20230159482-A1 FLAVAN-3-OL ANALOGS AND ANTI-INFLAMMATORY ACTIVITY IL1A, IL6, IL1B CYP3A4 965/4885MAPK1 222/4885DPP4 1871/4885

“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.