SCHEMBL5022816

SCHEMBL5022816

CNCc1cc(=O)oc2cc(OC)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 1.00
▸ KDM4E B2RXH2 4/20 0.67
▸ ALDH1A1 P00352 3/20 0.67
▸ HPGD P15428 3/20 0.67
▸ LCK P06239 1/20 0.65
▸ CYP19A1 P11511 3/20 0.62
▸ MAOA P21397 1/20 0.61
▸ MAOB P27338 1/20 0.61
▸ HSD17B10 Q99714 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2E1 P05181 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56

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
SCHEMBL22632087 0.86 CYP2D6 (0.76) CYP2D6KDM4EALDH1A1HPGDLCK
SCHEMBL6031499 0.85 CYP2D6 (0.76) CYP2D6KDM4EALDH1A1HPGDLCK
SCHEMBL9387319 0.84 CYP2D6 (0.74) CYP2D6KDM4EALDH1A1HPGDLCK
SCHEMBL17299899 0.82 CYP2D6 (0.72) CYP2D6KDM4EALDH1A1HPGDLCK
SCHEMBL6229629 0.82 DYRK1A (0.78) CYP2D6KDM4EALDH1A1HPGDLCK
SCHEMBL24025689 0.82 CYP2D6 (0.72) CYP2D6KDM4EALDH1A1HPGDLCK
SCHEMBL18921190 0.82 CYP2D6 (0.72) CYP2D6KDM4EALDH1A1HPGDLCK
SCHEMBL67779 0.82 CYP2D6 (0.72) CYP2D6KDM4EALDH1A1HPGDLCK
SCHEMBL29443248 0.82 CYP2D6 (0.72) CYP2D6KDM4EALDH1A1HPGDLCK
SCHEMBL3194989 0.82 KDM4E (0.72) CYP2D6KDM4EALDH1A1HPGDLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023229884-A2 3'-BLOCKED NUCLEOTIDES, METHODS OF DEBLOCKING THE SAME, AND METHODS OF SYNTHESIZING POLYNUCLEOTIDES USING THE SAME ILLUMINA, INC. (US) 2023-11-30 — — WO disclosed
CN-108368095-B D-proline derivatives as SAP consumables 葛兰素史密斯克莱知识产权发展有限公司 2021-06-08 — — CN disclosed
US-10597385-B2 Prodrug of 1,1′-(1,6-dioxo-1,6-hexanediyl)bis-D-proline GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-24 — — US disclosed
US-10328052-B2 D-proline derivatives as SAP depleting agent GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-25 — — US disclosed
EP-3137457-B1 A PRODRUG OF 1,1'-(1,6-DIOXO-1,6-HEXANEDIYL)BIS-D-PROLINE GLAXOSMITHKLINE IP DEV LTD (GB) 2019-04-17 — — EP disclosed
EP-3368532-A1 D-PROLINE DERIVATIVES AS SAP DEPLETING AGENT GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-09-05 — — EP disclosed
US-20180099955-A1 PRODRUG OF 1,1'-(1,6-DIOXO-1,6-HEXANEDIYL)BIS-D-PROLINE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-12 — — US disclosed
US-9873686-B2 Prodrug of 1,1′-(1,6-dioxo -1,6-hexanediyl)bis-D-proline GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-01-23 — — US disclosed
US-20170267665-A1 PRODRUG OF 1,1'-(1,6-DIOXO-1,6-HEXANEDIYL)BIS-D-PROLINE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-09-21 — — US disclosed
US-9737505-B2 Prodrug of 1,1′-(1,6-dioxo-1,6-hexanediyl)bis-D-proline GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-22 — — US disclosed
EP-3137457-A1 A PRODRUG OF 1,1'-(1,6-DIOXO-1,6-HEXANEDIYL)BIS-D-PROLINE GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-03-08 — — EP disclosed
US-20160081983-A1 PRODRUG OF 1,1'-(1,6-DIOXO-1,6-HEXANEDIYL)BIS-D-PROLINE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-24 — — US disclosed
US-20160075694-A1 A PRODRUG OF 1,1'-(1,6-DIOXO-1,6-HEXANEDIYL)BIS-D-PROLINE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-17 — — US disclosed
WO-2015165833-A1 A PRODRUG OF 1,1'-(1,6-DIOXO-1,6-HEXANEDIYL)BIS-D-PROLINE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-11-05 — — WO disclosed
EP-2139463-B1 ANTI-INFECTIVE AGENTS TECH UNIVERSITÄT CAROLO WILHELMINA ZU BRAUNSCHWEIG (DE) 2014-08-20 — — EP disclosed
EP-1685150-B1 NOVEL 17beta HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS SOLVAY PHARM GMBH (DE) 2008-09-03 — — EP disclosed
EP-1075539-B1 7-ALKOXYCOUMARINS AS CYTOCHROME P450 SUBSTRATES SMITHKLINE BEECHAM PLC (GB) 2008-08-06 — — EP disclosed
US-6617124-B1 Assay for testing for enzyme inhibitors which comprises contacting the enzyme and a compound of given formula; measuring inhibition of O-dealkylation of the compound by the enzyme SMITHKLINE BEECHAM P.L.C. (GB) 2003-09-09 — — US disclosed
EP-1075539-A1 7-ALKOXYCOUMARINS AS CYTOCHROME P450 SUBSTRATES SMITHKLINE BEECHAM PLC (GB) 2001-02-14 — — EP disclosed
WO-1999058710-A1 7-ALKOXYCOUMARINS AS CYTOCHROME P450 SUBSTRATES SMITHKLINE BEECHAM PLC (GB) 1999-11-18 — — 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 (6 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-20170267665-A1 PRODRUG OF 1,1'-(1,6-DIOXO-1,6-HEXANEDIYL)BIS-D-PROLINE APP, P4HA1, IAPP CYP2D6 379/4885KDM4E 1909/4885ALDH1A1 433/4885
US-20160075694-A1 A PRODRUG OF 1,1'-(1,6-DIOXO-1,6-HEXANEDIYL)BIS-D-PROLINE APP, P4HA1, FAP CYP2D6 202/4885KDM4E 1956/4885ALDH1A1 235/4885
US-10328052-B2 D-proline derivatives as SAP depleting agent APP, IAPP, PRAP1 CYP2D6 3433/4885KDM4E 1699/4885ALDH1A1 2075/4885
US-20180099955-A1 PRODRUG OF 1,1'-(1,6-DIOXO-1,6-HEXANEDIYL)BIS-D-PROLINE APP, P4HA1, IAPP CYP2D6 379/4885KDM4E 1909/4885ALDH1A1 433/4885
US-10597385-B2 Prodrug of 1,1′-(1,6-dioxo-1,6-hexanediyl)bis-D-proline APP, P4HA1, IAPP CYP2D6 367/4885KDM4E 1905/4885ALDH1A1 433/4885
US-20160081983-A1 PRODRUG OF 1,1'-(1,6-DIOXO-1,6-HEXANEDIYL)BIS-D-PROLINE APP, P4HA1, IAPP CYP2D6 379/4885KDM4E 1909/4885ALDH1A1 433/4885

“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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