SCHEMBL6724630

SCHEMBL6724630

COc1ccc(C=CC(=O)c2cc(C(=O)O)c(OC)cc2OC)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.72
MAPT P10636 5/20 0.72
TNFRSF1A P19438 2/20 0.72
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
XDH P47989 2/20 0.64
PDE4A P27815 1/20 0.61
PDE4B Q07343 1/20 0.61
PDE4C Q08493 1/20 0.61
PDE4D Q08499 1/20 0.61
MAPK1 P28482 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 1/20 0.60
APP P05067 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
ACHE P22303 1/20 0.60
BACE1 P56817 1/20 0.60

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
SCHEMBL6724627 1.00 ABCG2 (0.72) ABCG2MAPTTNFRSF1AMEN1KMT2A
SCHEMBL6715024 0.89 MAPT (0.68) ABCG2MAPTTNFRSF1AMEN1KMT2A
SCHEMBL6715026 0.89 MAPT (0.68) ABCG2MAPTTNFRSF1AMEN1KMT2A
SCHEMBL6717914 0.88 ABCG2 (0.68) ABCG2MAPTTNFRSF1AMEN1KMT2A
SCHEMBL29011912 0.86 ABCG2 (0.72) ABCG2MAPTTNFRSF1AMEN1KMT2A
SCHEMBL6714565 0.86 PDE4A (0.69) ABCG2MAPTTNFRSF1AMEN1KMT2A
SCHEMBL6718613 0.85 MAPT (0.70) ABCG2MAPTTNFRSF1AMEN1KMT2A
SCHEMBL6718799 0.85 ABCG2 (0.55) ABCG2MAPTTNFRSF1AMEN1KMT2A
SCHEMBL6718802 0.85 ABCG2 (0.55) ABCG2MAPTTNFRSF1AMEN1KMT2A
Metochalcone SCHEMBL4957703 0.84 ABCG2 (1.00) ABCG2MAPTTNFRSF1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 US claimed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 US claimed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP claimed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP claimed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO claimed
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 US disclosed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 US disclosed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP disclosed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP disclosed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 WO disclosed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 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 (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-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension GLS, APEH, GGH ABCG2 538/4885MAPT 1612/4885TNFRSF1A 3055/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH ABCG2 1223/4885MAPT 1920/4885TNFRSF1A 2633/4885

“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.