SCHEMBL22680507

SCHEMBL22680507

COc1cc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)c(OC)c(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 4/20 0.71
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ ABCG2 Q9UNQ0 2/20 0.64
▸ TP53 P04637 1/20 0.64
▸ MDM2 Q00987 1/20 0.64
▸ CYP1A1 P04798 3/20 0.60
▸ CYP1B1 Q16678 3/20 0.60
▸ KDM4E B2RXH2 3/20 0.56
▸ POLB P06746 3/20 0.56
▸ MAPT P10636 3/20 0.56
▸ RECQL P46063 1/20 0.56
▸ ADORA3 P0DMS8 1/20 0.53
▸ FLT3 P36888 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ OPRD1 P41143 1/20 0.52
▸ ODC1 P11926 1/20 0.51
▸ AURKA O14965 1/20 0.51
▸ KDR P35968 1/20 0.51

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
SCHEMBL31237667 1.00 ABCB1 (0.71) ABCB1MEN1KMT2AALDH1A1ABCG2
SCHEMBL16894617 0.88 ABCB1 (0.74) ABCB1MEN1KMT2AALDH1A1ABCG2
SCHEMBL1765114 0.83 ABCB1 (1.00) ABCB1MEN1KMT2AALDH1A1ABCG2
SCHEMBL17258306 0.81 ABCB1 (0.61) ABCB1MEN1KMT2AALDH1A1ABCG2
SCHEMBL16894663 0.81 ODC1 (0.68) ABCB1MEN1KMT2AALDH1A1ABCG2
SCHEMBL7199710 0.80 MEN1 (0.69) ABCB1MEN1KMT2AALDH1A1ABCG2
Baicalein Trimethyl Ether SCHEMBL971297 0.79 ABCB1 (0.80) ABCB1MEN1KMT2AALDH1A1ABCG2
SCHEMBL7773355 0.79 QPCT (0.53) ABCB1MEN1KMT2AALDH1A1ABCG2
Sinensetin SCHEMBL29700880 0.78 ABCB1 (1.00) ABCB1MEN1KMT2AALDH1A1ABCG2
Tetramethylscutellarein SCHEMBL739115 0.78 MEN1 (1.00) ABCB1MEN1KMT2AALDH1A1ABCG2

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-20230041523-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE AND METABOLIC DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-02-09 — — US disclosed
WO-2020232255-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE AND METABOLIC DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2020-11-19 — — WO 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-20230041523-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE AND METABOLIC DISORDERS NLN, GLS, PRNP ABCB1 3765/4885MEN1 3772/4885KMT2A 3429/4885

“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.

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