SCHEMBL25197813

SCHEMBL25197813

COc1ccc2c(c1)C=C[C@H](c1ccccc1)O2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
ABCB1 P08183 1/20 0.46
AR P10275 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
CYP19A1 P11511 5/20 0.43
MAOB P27338 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL17220857 1.00 NFKB1 (0.54) NFKB1NFKB2RELAABCB1AR
SCHEMBL17229381 1.00 NFKB1 (0.54) NFKB1NFKB2RELAABCB1AR
SCHEMBL30468827 0.90 NFKB1 (0.53) NFKB1NFKB2RELAABCB1AR
SCHEMBL25187265 0.88 NFKB1 (0.69) NFKB1NFKB2RELAABCB1AR
SCHEMBL25264495 0.88 NFKB1 (0.69) NFKB1NFKB2RELAABCB1AR
SCHEMBL29093183 0.87 NFKB1 (0.46) NFKB1NFKB2RELAABCB1AR
SCHEMBL30576353 0.87 NFKB1 (0.46) NFKB1NFKB2RELAABCB1AR
SCHEMBL25183291 0.85 NFKB1 (0.41) NFKB1NFKB2RELAABCB1AR
SCHEMBL25183290 0.85 NFKB1 (0.41) NFKB1NFKB2RELAABCB1AR
SCHEMBL10653876 0.82 NFKB1 (0.53) NFKB1NFKB2RELACYP19A1MAOB

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 3 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

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 NFKB1 49/4885NFKB2 48/4885RELA 17/4885
US-20230159482-A1 FLAVAN-3-OL ANALOGS AND ANTI-INFLAMMATORY ACTIVITY IL1A, IL6, IL1B NFKB1 49/4885NFKB2 48/4885RELA 17/4885

“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.