SCHEMBL4411376

SCHEMBL4411376

COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 9/20 0.76
CD274 Q9NZQ7 9/20 0.76
TUBB1 Q9H4B7 5/20 0.65
TUBB4A P04350 2/20 0.65
TUBB P07437 2/20 0.65
TUBA3C P0DPH7 2/20 0.65
TUBA1B P68363 2/20 0.65
TUBA4A P68366 2/20 0.65
TUBB4B P68371 2/20 0.65
TUBB3 Q13509 2/20 0.65
TUBB2A Q13885 2/20 0.65
TUBB8 Q3ZCM7 2/20 0.65
TUBA3E Q6PEY2 2/20 0.65
TUBA1A Q71U36 2/20 0.65
TUBA1C Q9BQE3 2/20 0.65
TUBB6 Q9BUF5 2/20 0.65
TUBB2B Q9BVA1 2/20 0.65
HDAC3 O15379 1/20 0.65
HDAC4 P56524 1/20 0.65
HDAC1 Q13547 1/20 0.65

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
SCHEMBL4411377 1.00 PDCD1 (0.76) PDCD1CD274TUBB1TUBB4ATUBB
SCHEMBL9085876 0.97 PDCD1 (0.72) PDCD1CD274TUBB1TUBB4ATUBB
SCHEMBL9085864 0.97 PDCD1 (0.72) PDCD1CD274TUBB1TUBB4ATUBB
SCHEMBL13991619 0.94 PDCD1 (0.68) PDCD1CD274TUBB1TUBB4ATUBB
SCHEMBL9587052 0.93 CYP1A1 (0.65) PDCD1CD274HDAC3HDAC4HDAC1
SCHEMBL9587050 0.93 CYP1A1 (0.65) PDCD1CD274HDAC3HDAC4HDAC1
SCHEMBL23671611 0.92 PDCD1 (0.66) PDCD1CD274TUBB1TUBB4ATUBB
SCHEMBL23671612 0.92 PDCD1 (0.66) PDCD1CD274TUBB1TUBB4ATUBB
SCHEMBL20693103 0.89 PDCD1 (0.62) PDCD1CD274TUBB1TUBB4ATUBB
SCHEMBL20693104 0.89 PDCD1 (0.62) PDCD1CD274TUBB1TUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11279678-B2 5-fluorouracil derivatives, preparation methods and uses thereof SHANGHAI ECUST BIOMEDICINE CO., LTD. (CN) 2022-03-22 US disclosed
US-20210230122-A1 5-FLUOROURACIL DERIVATIVES, PREPARATION METHODS AND USES THEREOF SHANGHAI ECUST BIOMEDICINE CO., LTD. (CN) 2021-07-29 US disclosed
CN-106336347-B New method for synthesizing hydroxystilbenes 中国科学院成都有机化学有限公司 2020-08-18 CN disclosed
US-7632863-B2 3,4,5,4′-tetramethoxyl-α,β-diphenylethane-3′-O-sodium sulphate and its use THE JIAN CELL BIOMEDICAL RESEARCH CO., LTD. (CN) 2009-12-15 US disclosed
US-20080234369-A1 3,4,5,4' - TETRAMETHOXYL- ALPHA,BETA-DIPHENYLETHANE -3' -0- SODIUMSULPHATE AND ITS USE THE JIANG CELL BIOMEDICAL RESEARCH CO., LTD. (CN) 2008-09-25 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 (3 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-20080234369-A1 3,4,5,4' - TETRAMETHOXYL- ALPHA,BETA-DIPHENYLETHANE -3' -0- SODIUMSULPHATE AND ITS USE SULT1E1, EBP, SULT1A1 PDCD1 3107/4885CD274 3653/4885TUBB1 111/4885
US-11279678-B2 5-fluorouracil derivatives, preparation methods and uses thereof VEGFA, FLT4, FAU PDCD1 2799/4885CD274 2650/4885TUBB1 310/4885
US-20210230122-A1 5-FLUOROURACIL DERIVATIVES, PREPARATION METHODS AND USES THEREOF VEGFA, FLT4, FAU PDCD1 2799/4885CD274 2650/4885TUBB1 310/4885

“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.