SCHEMBL4956699

SCHEMBL4956699

CCOC(=O)CCCCc1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 2/20 0.56
CYP4F2 P78329 2/20 0.54
CYP4A11 Q02928 2/20 0.54
ALOX5 P09917 1/20 0.51
CYP4F11 Q9HBI6 1/20 0.50
CYP4F12 Q9HCS2 1/20 0.50
TBXAS1 P24557 4/20 0.49
NAMPT P43490 1/20 0.49
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK1 P28482 2/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.44
PPID Q08752 1/20 0.44
FAAH O00519 1/20 0.44
HRH1 P35367 2/20 0.43

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
SCHEMBL7420660 0.98 CYP4Z1 (0.54) CYP4Z1CYP4F2CYP4A11ALOX5CYP4F11
Hydrochloric Acid SCHEMBL7420658 0.97 CYP4Z1 (0.53) CYP4Z1CYP4F2CYP4A11ALOX5CYP4F11
SCHEMBL27469498 0.95 ALOX5 (0.56) CYP4Z1CYP4F2CYP4A11ALOX5CYP4F11
SCHEMBL2412884 0.88 CYP4F2 (0.67) CYP4Z1CYP4F2CYP4A11ALOX5NAMPT
SCHEMBL9671800 0.86 CYP4Z1 (0.65) CYP4Z1CYP4F2CYP4A11ALOX5CYP4F11
SCHEMBL9554159 0.84 LTA4H (0.51) CYP4Z1CYP4F2CYP4A11ALOX5CYP4F11
SCHEMBL6328999 0.83 ALOX5 (0.69) CYP4Z1CYP4F2CYP4A11ALOX5CYP4F11
SCHEMBL14570534 0.83 CYP4Z1 (0.62) CYP4Z1CYP4F2CYP4A11ALOX5CYP4F11
SCHEMBL6204525 0.82 CYP4Z1 (0.60) CYP4Z1CYP4F2CYP4A11ALOX5CYP4F11
SCHEMBL5542104 0.82 CYP4Z1 (0.60) CYP4Z1CYP4F2CYP4A11ALOX5CYP4F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080085273-A1 VEHICLE FOR THE TRANSPORT OF A CHOSEN MOLECULE TO A CELL SYNVOLUX IP B.V. (NL) 2008-04-10 US disclosed
US-20080085273-A1 VEHICLE FOR THE TRANSPORT OF A CHOSEN MOLECULE TO A CELL SYNVOLUX IP B.V. (NL) 2008-04-10 US disclosed
US-20080085273-A1 VEHICLE FOR THE TRANSPORT OF A CHOSEN MOLECULE TO A CELL SYNVOLUX IP B.V. (NL) 2008-04-10 US disclosed
US-7339065-B2 Design and synthesis of optimized ligands for PPAR BETHESDA PHARMACEUTICALS, INC. (US) 2008-03-04 US disclosed
US-20070099969-A1 Design and synthesis of optimized ligands for ppar THE UNIVERSITY OF MISSISSIPPI 2007-05-03 US disclosed
US-7115623-B2 PDE IV inhibitors ASKA PHARMACEUTICALS CO., LTD. (JP) 2006-10-03 US disclosed
CN-1224624-C 1, 8-naphthyridin-2 (1H) -one derivatives GRELAN PHARMACEUTICAL CO (JP) 2005-10-26 CN disclosed
US-20040176365-A1 Pde IV inhibitors ASKA PHARMACEUTICAL CO., LTD. (JP) 2004-09-09 US disclosed
EP-1403270-A1 PDE IV INHIBITORS Grelan Pharmaceutical Co., Ltd. (JP) 2004-03-31 EP disclosed
EP-1236725-B1 NOVEL 1,8-NAPHTHYRIDIN-2(1H)-ONE DERIVATIVES GRELAN PHARMACEUTICAL CO (JP) 2004-03-10 EP disclosed
US-6642250-B2 As phosphodiesterase inhibitor for prophylaxis and therapy of bronchial asthma; pneumonic diseases, pulmonary emphysema, chronic obstructive pulmonary disease acute respiratory distress syndrome (ARDS), and other respiratory diseases GRELAN PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
CN-1407984-A Novel 1, 8-naphthyridin-2 (1H) -one derivatives GRELAN PHARMACEUTICAL CO (JP) 2003-04-02 CN disclosed
US-20030036651-A1 Novel 1,8-naphthyridin-2(1h)-one derivatives GRELAN PHARMACEUTICAL CO., LTD. (JP) 2003-02-20 US disclosed
EP-1236725-A1 NOVEL 1,8-NAPHTHYRIDIN-2(1H)-ONE DERIVATIVES Grelan Pharmaceutical Co., Ltd. (JP) 2002-09-04 EP 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 (4 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-20040176365-A1 Pde IV inhibitors PDE3B, PDE3A, PDE2A CYP4Z1 480/4885CYP4F2 483/4885CYP4A11 34/4885
US-20080085273-A1 VEHICLE FOR THE TRANSPORT OF A CHOSEN MOLECULE TO A CELL EPCAM, CD44, SELE CYP4Z1 3917/4885CYP4F2 2617/4885CYP4A11 3874/4885
US-20030036651-A1 Novel 1,8-naphthyridin-2(1h)-one derivatives PDE3B, PDE4A, PDE4B CYP4Z1 538/4885CYP4F2 705/4885CYP4A11 32/4885
US-20070099969-A1 Design and synthesis of optimized ligands for ppar PPARD, PPARA, PPARG CYP4Z1 700/4885CYP4F2 791/4885CYP4A11 217/4885

“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.