SCHEMBL25668662

SCHEMBL25668662

N#Cc1ccc2c(c1)C[C@H](O)[C@@H](c1ccccc1)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGS2 P35354 2/20 0.38
SYNJ2 O15056 1/20 0.38
PTGS1 P23219 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP19A1 P11511 2/20 0.36
ALPL P05186 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
ABCB1 P08183 3/20 0.36
LDHA P00338 1/20 0.35
AR P10275 1/20 0.35
DPP4 P27487 3/20 0.35

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
SCHEMBL25191500 0.80 ALDH1A1 (0.56) CYP3A4KDM4EMAPK1ALDH1A1MAPT
SCHEMBL25190038 0.78 MAOB (0.47) CYP3A4KDM4EMAPK1ALDH1A1MAPT
SCHEMBL25187363 0.78 AR (0.42) CYP3A4KDM4EMAPK1ALDH1A1MAPT
SCHEMBL25187251 0.78 AR (0.42) CYP3A4KDM4EMAPK1ALDH1A1MAPT
SCHEMBL25183295 0.78 MAOB (0.47) CYP3A4KDM4EMAPK1ALDH1A1MAPT
SCHEMBL18746282 0.77 CYP3A4 (0.48) CYP3A4KDM4EMAPK1ALDH1A1MAPT
SCHEMBL1659934 0.77 CYP3A4 (0.48) CYP3A4KDM4EMAPK1ALDH1A1MAPT
SCHEMBL1659938 0.77 CYP3A4 (0.48) CYP3A4KDM4EMAPK1ALDH1A1MAPT
SCHEMBL460038 0.77 CYP3A4 (0.48) CYP3A4KDM4EMAPK1ALDH1A1MAPT
SCHEMBL460037 0.77 CYP3A4 (0.48) CYP3A4KDM4EMAPK1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20230159482-A1 FLAVAN-3-OL ANALOGS AND ANTI-INFLAMMATORY ACTIVITY IL1A, IL6, IL1B CYP3A4 965/4885KDM4E 4013/4885MAPK1 222/4885

“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.