SCHEMBL25192829

SCHEMBL25192829

COc1cccc2c1C[C@H](O)[C@@H](c1ccccc1)O2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.59
MAPK1 P28482 2/20 0.59
ABCB1 P08183 2/20 0.51
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DPP4 P27487 1/20 0.46
NR3C1 P04150 1/20 0.46
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
PTGS1 P23219 3/20 0.43
MAPK14 Q16539 1/20 0.43
SYNJ2 O15056 1/20 0.42
PTGS2 P35354 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL25750413 0.81 PTGS1 (0.51) CYP3A4MAPK1ABCB1KDM4EALDH1A1
SCHEMBL25194249 0.81 PTGS1 (0.44) CYP3A4MAPK1KDM4EALDH1A1HPGD
SCHEMBL20554529 0.79 PTGS1 (0.56) CYP3A4MAPK1KDM4EALDH1A1HPGD
SCHEMBL25187247 0.77 CYP3A4 (0.43) CYP3A4MAPK1ABCB1KDM4EALDH1A1
SCHEMBL25199277 0.77 CYP3A4 (0.52) CYP3A4MAPK1ABCB1KDM4EALDH1A1
SCHEMBL28188853 0.72 KDM4E (0.56) CYP3A4MAPK1ABCB1KDM4EALDH1A1
SCHEMBL1659934 0.72 CYP3A4 (0.48) CYP3A4MAPK1KDM4EALDH1A1HPGD
SCHEMBL460038 0.72 CYP3A4 (0.48) CYP3A4MAPK1KDM4EALDH1A1HPGD
SCHEMBL1659938 0.72 CYP3A4 (0.48) CYP3A4MAPK1KDM4EALDH1A1HPGD
SCHEMBL18746282 0.72 CYP3A4 (0.48) CYP3A4MAPK1KDM4EALDH1A1HPGD

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 222/4885ABCB1 3338/4885
US-20230159482-A1 FLAVAN-3-OL ANALOGS AND ANTI-INFLAMMATORY ACTIVITY IL1A, IL6, IL1B CYP3A4 965/4885MAPK1 222/4885ABCB1 3338/4885

“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.