SCHEMBL678960

SCHEMBL678960

COc1ccc(-c2ccc(C(=O)O)c(C)c2)cc1OCCCCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 1.00
PDE4B Q07343 9/20 1.00
PDE4C Q08493 9/20 1.00
PDE4D Q08499 9/20 1.00
RARB P10826 1/20 0.57
LPAR1 Q92633 1/20 0.49
MCL1 Q07820 1/20 0.49
F2 P00734 1/20 0.48
ELANE P08246 1/20 0.48
PTPN11 Q06124 2/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 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
SCHEMBL7369768 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPTPN11
SCHEMBL8683735 0.84 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DLPAR1
SCHEMBL4062544 0.84 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DLPAR1
SCHEMBL7153812 0.83 PDE4A (0.81) PDE4APDE4BPDE4CPDE4D
SCHEMBL7376634 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL9148374 0.82 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DF2
SCHEMBL6584958 0.79 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL8686439 0.78 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DRARB
SCHEMBL6942928 0.78 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL3095526 0.77 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803760-B2 Methods of inducing ovulation MERCK SERONO SA (CH) 2010-09-28 US claimed
JP-4532115-B2 2010-08-25 JP claimed
US-20080293622-A1 METHODS OF INDUCING OVULATION MERCK SERONO SA (CH) 2008-11-27 US claimed
US-6953774-B2 Methods of inducing ovulation APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-10-11 US claimed
US-20050148501-A1 Methods of inducing ovulation using a non-polypeptide camp level modulator MERCK SERONO SA (CH) 2005-07-07 US claimed
EP-1463493-A1 METHODS OF INDUCING OVULATION-USING A NON-POLYPEPTIDE CAMP LEVEL MODULATOR Applied Research Systems ARS Holding N.V. (AN) 2004-10-06 EP claimed
WO-2003051344-A1 METHODS OF INDUCING OVULATION_USING A NON-POLYPEPTIDE CAMP LEVEL MODULATOR APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-06-26 WO claimed
US-20020103106-A1 Methods of inducing ovulation MERCK SERONO SA (CH) 2002-08-01 US claimed
US-20150119399-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2015-04-30 US disclosed
EP-2804603-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE President and Fellows of Harvard College (US) 2014-11-26 EP disclosed
WO-2013106547-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-18 WO disclosed
WO-2012170599-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS, INC. (US) 2012-12-13 WO disclosed
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS INC. (US) 2011-12-29 US disclosed
WO-2011146819-A2 METHODS AND COMPOSITIONS FOR TREATMENT NF-κB-MEDIATED AND α7 INTEGRIN-SUPPRESSED DISEASES DMD THERAPIES, LLC (US) 2011-11-24 WO disclosed
WO-2004067006-A1 COMBINATION OF A PDE IV INHIBITOR AND A TNF-ALPHA ANTAGONIST PHARMACIA CORPORATION (US) 2004-08-12 WO disclosed
WO-2003051344-A1 METHODS OF INDUCING OVULATION_USING A NON-POLYPEPTIDE CAMP LEVEL MODULATOR APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-06-26 WO disclosed
US-20020103106-A1 Methods of inducing ovulation MERCK SERONO SA (CH) 2002-08-01 US disclosed
US-5814651-A PHOSPHODIESTERASE TYPE FOUR INHIBITORS PFIZER INC. (US) 1998-09-29 US disclosed
EP-0672031-A1 CATECHOL DIETHERS AS SELECTIVE PDE IV? INHIBITORS PFIZER INC. (US) 1995-09-20 EP disclosed
WO-1994012461-A1 CATECHOL DIETHERS AS SELECTIVE PDEIV INHIBITORS PFIZER INC. (US) 1994-06-09 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 (5 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-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 PDE4A 167/4885PDE4B 186/4885PDE4C 171/4885
US-20150119399-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE IAPP, GPR119, PCNA PDE4A 1173/4885PDE4B 1204/4885PDE4C 1042/4885
US-20050148501-A1 Methods of inducing ovulation using a non-polypeptide camp level modulator PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885
US-20020103106-A1 Methods of inducing ovulation PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885
US-20080293622-A1 METHODS OF INDUCING OVULATION PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885

“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.