SCHEMBL7464093

SCHEMBL7464093

CCOCn1cnc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ PMP22 Q01453 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ ADORA2A P29274 5/20 0.53
▸ PDE4A P27815 4/20 0.53
▸ PDE4B Q07343 4/20 0.53
▸ PDE4C Q08493 4/20 0.53
▸ PDE4D Q08499 4/20 0.53
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ BRD4 O60885 4/20 0.50
▸ BRD2 P25440 2/20 0.50
▸ BRD3 Q15059 2/20 0.50
▸ BRDT Q58F21 2/20 0.50
▸ HPGD P15428 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
SCHEMBL7461429 0.86 MAPK1 (0.60) MAPK1CYP3A4PMP22SMN1; SMN2KDM4E
SCHEMBL7454403 0.85 PDE4A (0.61) MAPK1KDM4ELMNAPOLBADORA2A
SCHEMBL17609493 0.84 SMN1; SMN2 (0.55) MAPK1CYP3A4PMP22SMN1; SMN2KDM4E
SCHEMBL381684 0.84 PDE4A (0.71) MAPK1CYP3A4PMP22SMN1; SMN2KDM4E
SCHEMBL1495090 0.82 PDE4A (0.76) MAPK1CYP3A4PMP22SMN1; SMN2KDM4E
SCHEMBL4566277 0.80 MEN1 (0.77) MAPK1CYP3A4PMP22SMN1; SMN2KDM4E
SCHEMBL6661580 0.80 BRD4 (0.51) MAPK1CYP3A4KDM4ELMNAPOLB
SCHEMBL16675435 0.80 MAPK1 (0.64) MAPK1CYP3A4PMP22SMN1; SMN2KDM4E
SCHEMBL10955005 0.80 MAPK1 (0.64) MAPK1CYP3A4PMP22SMN1; SMN2KDM4E
SCHEMBL16675439 0.79 ALDH1A1 (0.53) MAPK1CYP3A4PMP22SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170240694-A1 CATALYSTS AND METHODS FOR RING OPENING METATHESIS POLYMERIZATION UNITED STATES DEPARTMENT OF ENERGY 2017-08-24 — — US disclosed
US-20070105878-A1 Purine formulations and methods for managing disorders REAUME ANDREW 2007-05-10 — — US disclosed
US-20070105878-A1 Purine formulations and methods for managing disorders REAUME ANDREW 2007-05-10 — — US disclosed
WO-2007041506-A1 PURINE FORMULATIONS AND METHODS FOR MANAGING DISORDERS MELIOR DISCOVERY, INC. (US) 2007-04-12 — — WO disclosed
CN-1098686-C Use of xanthine derivatives for reducing the pathological hyper-reactivity of eosinophilic granulocytes, novel xanthine compounds and process for producing them AVENTIS HARMACEUTICAL DEUTSCHE (DE) 2003-01-15 — — CN disclosed
US-20020010333-A1 Use of xanthine derivatives for reducing the pathological hyperreactivity of eosinophilic granulocytes, novel xanthine compounds and process for their preparation HOECHST AKTIENGESELLSCHAFT 2002-01-24 — — US disclosed
EP-0771813-B1 Alkylxanthine phosphonates and alkylxanthine phosphine oxydes and their use as medicines HOECHST AG (DE) 2002-01-16 — — EP disclosed
CN-1064361-C Xanthine compounds having terminally aminated alkynol side chains HOECHST AG (DE) 2001-04-11 — — CN disclosed
EP-0811623-B1 Xanthine derivatives with end-aminated alkynol side chains HOECHST AG (DE) 2001-04-04 — — EP disclosed
US-5965555-A TREATMENT AND/OR PROPHYLAXIS OF CEREBROVASCULAR DISORDERS CHARACTERIZED BY DAMAGE CAUSED BY ISCHEMIA AND SUBSEQUENT NECROTIC DESTRUCTION OF NERVE CELLS(NEURONS) HOECHST AKTIENGESELLSCHAFT (DE) 1999-10-12 — — US disclosed
CN-1145029-A Use of xanthine derivatives for reducing the pathological hyperreactivity of eosinophils, xanthine compounds and process for their preparation HOECHST AG (DE) 1997-03-12 — — CN disclosed
EP-0758239-A1 USE OF XANTHINE DERIVATIVES FOR REDUCING THE PATHOLOGICAL HYPER-REACTIVITY OF EOSINOPHILIC GRANULOCYTES, NOVEL XANTHINE COMPOUNDS AND PROCESS FOR PRODUCING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1997-02-19 — — EP disclosed
EP-0557876-B1 Use of xanthine derivatives for the treatment of muscle damage subsequent to complete interruption of blood circulation HOECHST AG (DE) 1996-12-11 — — EP disclosed
WO-1995026727-A1 USE OF XANTHINE DERIVATIVES FOR REDUCING THE PATHOLOGICAL HYPER-REACTIVITY OF EOSINOPHILIC GRANULOCYTES, NOVEL XANTHINE COMPOUNDS AND PROCESS FOR PRODUCING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-12 — — WO disclosed
CN-1026112-C Process of preparing hydroxyalkylxanthines and medicines containing them and uses thereof HOECHST AG (DE) 1994-10-05 — — CN disclosed
EP-0557876-A1 Use of xanthine derivatives for the treatment of muscle damage subsequent to complete interruption of blood circulation HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-01 — — EP disclosed
EP-0268585-B1 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 — — EP disclosed
US-4833146-A BRAINS, BLOOD DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-23 — — US disclosed
EP-0268585-A1 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF. HOECHST AG (DE) 1988-06-01 — — EP disclosed
WO-1987000523-A2 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1987-01-29 — — 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-20070105878-A1 Purine formulations and methods for managing disorders TPMT, UMPS, SLC10A2 MAPK1 2268/4885CYP3A4 2871/4885PMP22 588/4885
US-20020010333-A1 Use of xanthine derivatives for reducing the pathological hyperreactivity of eosinophilic granulocytes, novel xanthine compounds and process for their preparation EPX, XDH, MPO MAPK1 1635/4885CYP3A4 538/4885PMP22 1444/4885

“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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