SCHEMBL6588516

SCHEMBL6588516

CCCCOc1cc(C(C)=O)ccc1OC

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.64
PDE4B Q07343 4/20 0.60
KMT2A Q03164 2/20 0.58
PDE4A P27815 1/20 0.57
PDE4C Q08493 1/20 0.57
PDE4D Q08499 1/20 0.57
MAOB P27338 2/20 0.54
FAAH O00519 1/20 0.54
MEN1 O00255 1/20 0.53
CNR2 P34972 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC2 Q92769 1/20 0.52

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
SCHEMBL3373445 0.95 SMPD1 (0.71) SMPD1PDE4BKMT2AMAOBCNR2
SCHEMBL28957152 0.94 SMPD1 (0.73) SMPD1PDE4BKMT2AMAOBCNR2
SCHEMBL10260429 0.94 KMT2A (0.66) SMPD1KMT2AMAOBFAAHMEN1
SCHEMBL7175524 0.92 PDE4B (0.59) SMPD1PDE4BKMT2APDE4DMAOB
SCHEMBL10497745 0.92 KMT2A (0.55) SMPD1PDE4BKMT2AMAOBMEN1
SCHEMBL22502336 0.89 THRA (0.64) SMPD1PDE4BKMT2AMAOBMEN1
SCHEMBL13461243 0.88 KMT2A (0.56) SMPD1PDE4BKMT2APDE4APDE4C
SCHEMBL15521570 0.88 MAPK1 (0.68) SMPD1PDE4BPDE4APDE4CPDE4D
SCHEMBL17329448 0.88 KMT2A (0.58) SMPD1KMT2AMAOBMEN1
SCHEMBL3884522 0.88 SMPD1 (0.68) SMPD1PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5124455-A Enzyme inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-23 US claimed
EP-0470805-A1 Oxime-carbamates and oxime-carbonates as bronchodilators and anti-inflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-02-12 EP claimed
US-20170087143-A1 Dosing of Cabozantinib Formulations EXELIXIS, INC. 2017-03-30 US disclosed
US-20160031818-A1 Metabolites of N-(4-phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide EXELIXIS, INC. 2016-02-04 US disclosed
WO-2015142928-A1 DOSING OF CABOZANTINIB FORMULATIONS EXELIXIS, INC. (US) 2015-09-24 WO disclosed
WO-2014145715-A1 METABOLITES OF N-(4-{[6,7-BIS(METHYLOXY)QUINOLIN-4-YL]OXY}PHENYL)-N'-(4-FLUOROPHENYL) CYCLOPROPANE-1,1-DICARBOXAMIDE EXELIXIS, INC. (US) 2014-09-18 WO disclosed
EP-0928789-B1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2004-09-29 EP disclosed
US-6251897-B1 TREATING DERMATITIS, ASTHMA NIKKEN CHEMICALS CO., LTD (JP) 2001-06-26 US disclosed
US-5998453-A ANTIINFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-12-07 US disclosed
EP-0928789-A1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-07-14 EP disclosed
US-5869483-A KIDNEY DISEASES AMERICAN CYANAMID COMPANY (US) 1999-02-09 US disclosed
CN-1029613-C Oxime-carbamates and oxime-carbonates as bronchodilators and anti-inflamatory agents AMERICAN HOME PROD (US) 1995-08-30 CN disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP disclosed
EP-0470805-B1 Oxime-carbamates and oxime-carbonates as bronchodilators and anti-inflammatory agents AMERICAN HOME PROD (US) 1994-09-07 EP disclosed
US-5124455-A Enzyme inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-23 US disclosed
CN-1058771-A Method for making of oxime carbamate and oxime carbonate ester and uses thereof AMERICAN HOME PROD (US) 1992-02-19 CN disclosed
EP-0470805-A1 Oxime-carbamates and oxime-carbonates as bronchodilators and anti-inflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-02-12 EP disclosed
EP-0198919-B1 PHARMACEUTICAL PREPARATIONS SCHERING AKTIENGESELLSCHAFT (DE) 1990-02-28 EP disclosed
EP-0198919-A1 PHARMACEUTICAL PREPARATIONS. SCHERING AG (DE) 1986-10-29 EP disclosed
WO-1986002268-A1 PHARMACEUTICAL PREPARATIONS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1986-04-24 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-20170087143-A1 Dosing of Cabozantinib Formulations MET, ABL1, KRAS SMPD1 3895/4885PDE4B 1254/4885KMT2A 117/4885
US-20160031818-A1 Metabolites of N-(4-phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide IDH1, NTRK3, FGFR4 SMPD1 1904/4885PDE4B 787/4885KMT2A 539/4885

“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.