SCHEMBL3371531

SCHEMBL3371531

COc1ccc(C(C)=O)cc1OC1Cc2ccccc2C1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 11/20 0.69
PDE4B Q07343 10/20 0.69
PDE4A P27815 9/20 0.69
PDE4C Q08493 9/20 0.69
NOX1 Q9Y5S8 1/20 0.49
MAPK14 Q16539 1/20 0.49
MCL1 Q07820 1/20 0.49
ALDH1A1 P00352 2/20 0.48
PDE5A O76074 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL7913459 0.86 PDE4D (0.70) PDE4DPDE4BPDE4APDE4CNOX1
SCHEMBL4825206 0.85 PDE4B (0.61) PDE4DPDE4BPDE4APDE4CNOX1
SCHEMBL7441489 0.84 PDE4B (0.63) PDE4DPDE4BPDE4APDE4C
SCHEMBL14003536 0.84 PDE4B (0.61) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL7176867 0.81 PDE4B (0.66) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL128167 0.81 PDE4B (0.70) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL9184286 0.81 PDE4B (0.62) PDE4DPDE4BPDE4APDE4CNOX1
SCHEMBL7366699 0.81 PDE4B (0.62) PDE4DPDE4BPDE4APDE4CNOX1
SCHEMBL7359869 0.80 MAPT (0.67) PDE4DPDE4BPDE4APDE4CNOX1
SCHEMBL3371565 0.80 PDE4B (0.57) PDE4DPDE4BPDE4APDE4CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP 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-6265402-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-07-24 US disclosed
US-6251897-B1 TREATING DERMATITIS, ASTHMA NIKKEN CHEMICALS CO., LTD (JP) 2001-06-26 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
EP-0924204-A1 2-PHENYLMORPHOLIN-5-ONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Nikken Chemicals Company, Limited (JP) 1999-06-23 EP disclosed
WO-1998008844-A1 THIAZOLE DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE-IV BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-03-05 WO disclosed
US-5459145-A Calcium independent camp phosphodiesterase inhibitor antidepressant PFIZER INC. (US) 1995-10-17 US disclosed
US-5294730-A A-Amino-4-alkoxy-3-polycycloalkyloxybenzyl cyanide derivatives PFIZER INC. (US) 1994-03-15 US disclosed
EP-0247725-B1 Calcium independent camp phosphodiestrerase inhibitor antidepressant PFIZER (US) 1994-03-02 EP disclosed
US-5196426-A CALCIUM INDEPENDENT C AMP PHOSPHODIESTERASE INHIBITOR ANTIDEPRESSANT PFIZER INC. (US) 1993-03-23 US disclosed
US-5128358-A Aryl substituted nitrogen heterocyclic antidepressants PFIZER INC. (US) 1992-07-07 US disclosed
EP-0247725-A2 Calcium independent camp phosphodiestrerase inhibitor antidepressant PFIZER INC. (US) 1987-12-02 EP disclosed
WO-1987006576-A1 CALCIUM INDEPENDENT CAMP PHOSPHODIESTERASE INHIBITOR ANTIDEPRESSANT PFIZER INC. (US) 1987-11-05 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 (1 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-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI PDE4D 1519/4885PDE4B 1700/4885PDE4A 1796/4885

“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.