SCHEMBL2889893

SCHEMBL2889893

COc1ccc(OBOc2ccc(OC)c(OC3CCCC3)c2)cc1OC1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.58
PDE4B Q07343 14/20 0.51
PDE4D Q08499 12/20 0.51
PDE4C Q08493 11/20 0.51
POLB P06746 1/20 0.49
CYP3A4 P08684 2/20 0.47
VEGFA P15692 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
CREBBP Q92793 1/20 0.47
MAPK14 Q16539 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PDE5A O76074 1/20 0.47
TNF P01375 1/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 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
SCHEMBL27521810 0.87 PDE4A (0.60) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL5704028 0.79 HIF1A (0.47) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL23115 0.79 CA2 (0.67) PDE4APOLBCYP3A4ALDH1A1CYP1A2
SCHEMBL5823060 0.78 PDE4A (0.77) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL7355035 0.78 PDE4A (0.51) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL8477546 0.78 PDE4A (0.62) PDE4APDE4BPDE4DPDE4CCYP3A4
SCHEMBL6873641 0.77 PDE4A (0.60) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL7363913 0.76 PDE4A (0.59) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL129356 0.76 PDE4A (0.59) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL9505135 0.76 PDE4A (0.59) PDE4APDE4BPDE4DPDE4CPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121069-A1 METHOD FOR MANUFACTURING A BETA-DIARYL ELECTRON WITHDRAWING GROUP SUBSTITUTED COMPOUND MSD K.K. (JP) 2010-05-13 US disclosed
US-7605168-B2 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. (US) 2009-10-20 US disclosed
EP-2042478-A1 METHOD FOR PRODUCING -DIARYL ELECTRON-WITHDRAWING GROUP SUBSTITUTED COMPOUND Japan Science and Technology Agency (JP) 2009-04-01 EP disclosed
EP-1786813-A2 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON, INC. (US) 2007-05-23 EP disclosed
US-20060100218-A1 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. 2006-05-11 US disclosed
WO-2006026754-A9 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON INC (US) 2006-04-20 WO disclosed
WO-2006026754-A2 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON, INC. (US) 2006-03-09 WO disclosed
EP-0745063-B1 SUBSTITUTED BIPHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS AMERICAN HOME PROD (US) 1999-03-24 EP disclosed
US-5691376-A ANTIHISTAMINE, ANTIALLERGENS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-11-25 US disclosed
US-5650444-A BRONCHODILATOR AGENTS, ANTIALLERGENS AND ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-07-22 US disclosed
EP-0745063-A1 SUBSTITUTED BIPHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-04 EP disclosed
WO-1995027692-A1 SUBTITUTED BIPHENYL TNF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-19 WO disclosed
WO-1995022520-A1 SUBSTITUTED BIPHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-08-24 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-20060100218-A1 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PDE4B, PDE4A, PDE4C PDE4A 2/4885PDE4B 1/4885PDE4D 5/4885
US-20100121069-A1 METHOD FOR MANUFACTURING A BETA-DIARYL ELECTRON WITHDRAWING GROUP SUBSTITUTED COMPOUND BMP6, GPR6, ACSL6 PDE4A 4037/4885PDE4B 3768/4885PDE4D 4258/4885

“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.