SCHEMBL2958828

SCHEMBL2958828

COc1ccc(CO)cc1OC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.60
PDE4B Q07343 11/20 0.56
PDE4A P27815 12/20 0.55
PDE4D Q08499 8/20 0.54
PDE4C Q08493 7/20 0.54
POLB P06746 1/20 0.52
MAPK14 Q16539 1/20 0.50

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
SCHEMBL134754 0.94 RECQL (0.67) RECQLPDE4BPDE4APDE4DPDE4C
SCHEMBL8846224 0.90 RECQL (0.55) RECQLPDE4BPDE4APDE4DPDE4C
SCHEMBL5610571 0.88 RECQL (0.61) RECQLPDE4BPDE4APDE4DPDE4C
SCHEMBL3976102 0.86 PDE4B (0.57) RECQLPDE4BPDE4APDE4DPDE4C
SCHEMBL7324666 0.85 RECQL (0.58) RECQLPDE4BPDE4APDE4DPDE4C
SCHEMBL7376963 0.85 HTT (0.52) RECQLPDE4BPDE4APDE4DPDE4C
SCHEMBL5703607 0.84 PDE4B (0.56) RECQLPDE4BPDE4APDE4DPDE4C
SCHEMBL5309679 0.84 PDE4B (0.56) RECQLPDE4BPDE4APDE4DPDE4C
SCHEMBL2956981 0.84 CSNK2A1 (0.66) RECQLPDE4BPDE4APDE4DPDE4C
SCHEMBL2371289 0.82 PDE4B (0.60) RECQLPDE4BPDE4APDE4DPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110294972-A A kind of ink 深圳TCL工业研究院有限公司 2019-10-01 CN claimed
US-5274002-A 1-Oxy- or -thio-2-cycloalkyloxy-4-carboxyalkylene benzene derivatives WARNER-LAMBERT COMPANY (US) 1993-12-28 US claimed
CN-110294972-A A kind of ink 深圳TCL工业研究院有限公司 2019-10-01 CN disclosed
WO-2010076564-A2 ISOCHROMENONES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2010-07-08 WO disclosed
US-7750009-B2 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-06 US disclosed
EP-1824854-A2 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2007-08-29 EP disclosed
EP-1751081-A2 METHOD FOR PREPARING 3-CYCLOPENTYLOXY-4-METHOXYBENZALDEHYDE Wyeth (US) 2007-02-14 EP disclosed
EP-1524268-B1 Compounds and method for preparing sustituted 4-phenyl-4-cyanocyclohexanoic acids SMITHKLINE BEECHAM CORP (US) 2007-01-17 EP disclosed
US-7122705-B2 Method for preparing 3-cyclopentyloxy-4-methoxybenzaldehyde WYETH (US) 2006-10-17 US disclosed
WO-2006058869-A2 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-08 WO disclosed
US-20060116373-A1 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-01 US disclosed
WO-1996000218-A1 COMPOUNDS FOR AND METHOD OF INHIBITING PHOSPHODIESTERASE IV EURO-CELTIQUE, S.A. (LU) 1996-01-04 WO disclosed
WO-1995035284-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES USEFUL AS PDE IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1995-12-28 WO disclosed
EP-0672031-A1 CATECHOL DIETHERS AS SELECTIVE PDE IV? INHIBITORS PFIZER INC. (US) 1995-09-20 EP disclosed
EP-0640070-A1 STYRYL DERIVATIVES, THEIR PREPARATION AND USE AS PDE-IV INHIBITORS. CELLTECH THERAPEUTICS LTD (GB) 1995-03-01 EP disclosed
WO-1995000516-A1 NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY EURO-CELTIQUE S.A. (LU) 1995-01-05 WO disclosed
WO-1994020455-A1 STYRYL DERIVATIVES, THEIR PREPARATION AND USE AS PDE-IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1994-09-15 WO disclosed
WO-1994012461-A1 CATECHOL DIETHERS AS SELECTIVE PDEIV INHIBITORS PFIZER INC. (US) 1994-06-09 WO disclosed
US-5274002-A 1-Oxy- or -thio-2-cycloalkyloxy-4-carboxyalkylene benzene derivatives WARNER-LAMBERT COMPANY (US) 1993-12-28 US disclosed
US-4971959-A Trisubstituted phenyl analogs having activity for congestive heart failure WARNER-LAMBERT COMPANY (US) 1990-11-20 US 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-20060116373-A1 Substituted pteridines for the treatment of inflammatory diseases LTC4S, TLR5, LTB4R2 RECQL 254/4885PDE4B 1709/4885PDE4A 1428/4885

“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.