SCHEMBL489643

SCHEMBL489643

CCCC[CH]c1cc(=O)oc2cc(OC)ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.55
▸ ALDH1A1 P00352 6/20 0.55
▸ HPGD P15428 4/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ CDC25A P30304 3/20 0.54
▸ CDC25C P30307 3/20 0.54
▸ CYP2D6 P10635 2/20 0.52
▸ LCK P06239 1/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA3 P07451 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ CA5A P35218 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ CA5B Q9Y2D0 1/20 0.50
▸ CYP19A1 P11511 1/20 0.48
▸ LMNA P02545 1/20 0.46

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
SCHEMBL1394741 0.79 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10CDC25A
SCHEMBL24523121 0.75 CYP19A1 (0.60) KDM4EALDH1A1HPGDHSD17B10CYP2D6
SCHEMBL6031499 0.75 CYP2D6 (0.76) KDM4EALDH1A1HPGDHSD17B10CYP2D6
SCHEMBL571861 0.75 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10CDC25A
SCHEMBL15984893 0.74 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10CYP2D6
SCHEMBL17384225 0.73 CDC25A (0.69) KDM4EALDH1A1HPGDHSD17B10CDC25A
SCHEMBL14424527 0.73 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10CYP2D6
SCHEMBL1104926 0.72 CYP2D6 (0.75) KDM4EALDH1A1HPGDHSD17B10CYP2D6
SCHEMBL28385015 0.72 CYP2D6 (0.62) KDM4EALDH1A1HPGDHSD17B10CYP2D6
Hymecromone Methyl Ether SCHEMBL314248 0.71 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10CYP2D6

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 193 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12016835-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2024-06-25 — — US disclosed
US-11851443-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-12-26 — — US disclosed
US-20230285340-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-09-14 — — US disclosed
US-11547687-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-01-10 — — US disclosed
US-11261197-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-03-01 — — US disclosed
US-20210079017-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-18 — — US disclosed
US-20210059966-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-04 — — US disclosed
US-10759813-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-09-01 — — US disclosed
US-10744104-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-08-18 — — US disclosed
US-20200031847-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-01-30 — — US disclosed
US-20090149521-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-06-11 — — US disclosed
US-20090093417-A1 Dual-acting antihypertensive agents THERAVANCE, INC. 2009-04-09 — — US disclosed
WO-2009035543-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2009-03-19 — — WO disclosed
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents THERAVANCE, INC. 2009-01-22 — — US disclosed
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. 2008-12-25 — — US disclosed
WO-2008153857-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-12-18 — — WO disclosed
WO-2008133896-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-11-06 — — WO disclosed
US-20080269305-A1 R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure THERAVANCE, INC. 2008-10-30 — — US disclosed
WO-2008097459-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-08-14 — — WO disclosed
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide THERAVANCE BIOPHARMA R&D IP, LLC 2008-08-07 — — 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 (16 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-20090093417-A1 Dual-acting antihypertensive agents AGTR1, REN, AGTR2 KDM4E 2853/4885ALDH1A1 2963/4885HPGD 1731/4885
US-20230285340-A1 NEPRILYSIN INHIBITORS MME, REN, ACE KDM4E 2305/4885ALDH1A1 2945/4885HPGD 3244/4885
US-10759813-B2 Neprilysin inhibitors MME, REN, ACE KDM4E 2334/4885ALDH1A1 2644/4885HPGD 2701/4885
US-20080269305-A1 R)-N-{2-Butyl-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl}-2-(2-hydroxycarbamoyl-3-phenyl-propionylamino)succinamic Acid; AT1 receptor antagonist and neprilysin (NEP) enzyme inhibition activity; hypertension, heart failure AGTR2, REN, AGTR1 KDM4E 1066/4885ALDH1A1 1885/4885HPGD 1452/4885
US-11547687-B2 Neprilysin inhibitors MME, REN, ACE KDM4E 2305/4885ALDH1A1 2945/4885HPGD 3244/4885
US-20090023228-A1 Dual-acting Imidazole antihypertensive agents AGTR1, AGTR2, REN KDM4E 2414/4885ALDH1A1 1809/4885HPGD 920/4885
US-11261197-B2 Neprilysin inhibitors MME, REN, ACE KDM4E 2334/4885ALDH1A1 2644/4885HPGD 2701/4885
US-10744104-B2 Neprilysin inhibitors MME, REN, ACE KDM4E 2305/4885ALDH1A1 2945/4885HPGD 3244/4885
US-20090149521-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 KDM4E 2352/4885ALDH1A1 2053/4885HPGD 1422/4885
US-20210079017-A1 NEPRILYSIN INHIBITORS MME, REN, ACE KDM4E 2334/4885ALDH1A1 2644/4885HPGD 2701/4885
US-20200031847-A1 NEPRILYSIN INHIBITORS MME, REN, ACE KDM4E 2334/4885ALDH1A1 2644/4885HPGD 2701/4885
US-20210059966-A1 NEPRILYSIN INHIBITORS MME, REN, ACE KDM4E 2305/4885ALDH1A1 2945/4885HPGD 3244/4885
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide MME, AGTR1, AGTR2 KDM4E 607/4885ALDH1A1 1325/4885HPGD 2410/4885
US-11851443-B2 Neprilysin inhibitors MME, REN, ACE KDM4E 2334/4885ALDH1A1 2644/4885HPGD 2701/4885
US-12016835-B2 Neprilysin inhibitors MME, REN, ACE KDM4E 2305/4885ALDH1A1 2945/4885HPGD 3244/4885
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents AGTR1, REN, AGTR2 KDM4E 2301/4885ALDH1A1 2164/4885HPGD 1538/4885

“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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