SCHEMBL5498121

SCHEMBL5498121

COc1ccc(C(C#N)(CCC(=O)O)CC(C)(C)C(=O)O)cc1OC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.45
PDE4A P27815 13/20 0.45
PDE4C Q08493 13/20 0.45
PDE4D Q08499 13/20 0.45
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE5A O76074 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
POLB P06746 1/20 0.41
CTSK P43235 1/20 0.40

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
SCHEMBL5703639 0.92 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DCASP1
SCHEMBL8677454 0.90 PDE4D (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL11830247 0.88 CASP1 (0.54) CASP1HSD17B10POLB
SCHEMBL27617802 0.83 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DCASP1
SCHEMBL5498116 0.83 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DCASP1
SCHEMBL5498111 0.83 CASP1 (0.49) PDE4BPDE4APDE4CPDE4DCASP1
SCHEMBL8192323 0.81 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL7532617 0.80 PDE4D (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL6815488 0.79 CASP1 (0.54) PDE4BPDE4APDE4CPDE4DCASP1
SCHEMBL7384417 0.79 HSD17B10 (0.66) CASP1HSD17B10POLB

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
EP-1524268-B1 Compounds and method for preparing sustituted 4-phenyl-4-cyanocyclohexanoic acids SMITHKLINE BEECHAM CORP (US) 2007-01-17 EP disclosed
EP-1295869-B1 Compounds and method for preparing substituted 4-phenyl-4-cyanocyclohexanoic acids SMITHKLINE BEECHAM CORP (US) 2005-07-27 EP disclosed
EP-1524268-A1 Compounds and method for preparing sustituted 4-phenyl-4-cyanocyclohexanoic acids SmithKline Beecham Corporation (US) 2005-04-20 EP disclosed
EP-1043930-A4 METHOD FOR PREPARING SUBSTITUTED 4-PHENYL-4-CYANOCYCLOHEXANOIC ACIDS SMITHKLINE BEECHAM CORP (US) 2004-09-15 EP disclosed
EP-1327627-A1 Compounds and method for preparing substituted 4-phenyl-4-cyanocyclohexanoic acids SmithKline Beecham Corporation (US) 2003-07-16 EP disclosed
US-20030083507-A1 Treating chronic bronchial asthma by activating adenylate cyclase and inhibiting phosphodiesterase; principal airway smooth muscle relaxation; suppresses cell degranulation; from an oxaspiro-2.5-octane-2,6-dinitrile analog SMITHKLINE BEECHAM CORPORATION 2003-05-01 US disclosed
EP-1023279-B1 COMPOUNDS AND METHOD FOR PREPARING SUBSTITUTED 4-PHENYL-4-CYANOCYCLOHEXANOIC ACIDS SMITHKLINE BEECHAM (US) 2003-04-16 EP disclosed
EP-1295869-A2 Compounds and method for preparing substituted 4-phenyl-4-cyanocyclohexanoic acids Smithkline Beecham (US) 2003-03-26 EP disclosed
US-6452022-B1 HEATING ALKALI OR ALKALINE EARTH METAL HALIDE, AND 6-(3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL))-1-OXASPIRO(2.5)OCTANE-2,6 -DICARBONITRILE IN SOLVENT; ADDING STRONG BASE, REMOVING WATER AND SOLVENT SMITHKLINE BEECHAM CORPORATION 2002-09-17 US disclosed
US-20020082440-A1 METHOD FOR PREPARING SUBSTITUTED 4-PHENYL-4-CYANOCYCLOHEXANOIC ACIDS SMITHKLINE BEECHAM CORPORATION 2002-06-27 US disclosed
US-6337408-B1 HALOGENATED COMPOUNDS WITH BENZENECYCLOHEXANE COMPOUNDS FROM EPOXY COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2002-01-08 US disclosed
EP-1043930-A1 METHOD FOR PREPARING SUBSTITUTED 4-PHENYL-4-CYANOCYCLOHEXANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 2000-10-18 EP disclosed
WO-1999018793-A1 METHOD FOR PREPARING SUBSTITUTED 4-PHENYL-4-CYANOCYCLOHEXANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-22 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-20030083507-A1 Treating chronic bronchial asthma by activating adenylate cyclase and inhibiting phosphodiesterase; principal airway smooth muscle relaxation; suppresses cell degranulation; from an oxaspiro-2.5-octane-2,6-dinitrile analog PDE3A, PDE3B, PDE2A PDE4B 13/4885PDE4A 10/4885PDE4C 23/4885
US-20020082440-A1 METHOD FOR PREPARING SUBSTITUTED 4-PHENYL-4-CYANOCYCLOHEXANOIC ACIDS PCCA, CA6, CA4 PDE4B 2865/4885PDE4A 2842/4885PDE4C 2892/4885

“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.