SCHEMBL3465058

SCHEMBL3465058

CCOC(=O)CC(OC(CC(=O)OCC)C(C)(C)C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 7/20 0.41
TRPA1 O75762 1/20 0.41
ALOX15 P16050 3/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 2/20 0.38
CHRM1 P11229 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP1A2 P05177 2/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
LMNA P02545 1/20 0.36
SOAT1 P35610 1/20 0.34
HTT P42858 2/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL7781785 0.86 ALDH1A1 (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3822835 0.86 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27017174 0.78 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL235575 0.78 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13602465 0.77 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL18854349 0.77 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL19100033 0.75 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1244569 0.75 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9178977 0.75 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15183859 0.73 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324235-B2 Heterocyclic spiro-compounds NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20100144774-A1 HETEROCYCLIC SPIRO-COMPOUNDS NOVARTIS AG (CH) 2010-06-10 US disclosed
US-6410547-B1 (4-OXY-3-(ARYL)PHENYL)PYRIDINE FOR TREATMENT, PROPHYLAXIS OF INFLAMMATION, ESP. INFLAMMATORY OR OBSTRUCTIVE DISEASES OF THE AIRWAYS, E.G. FOR ASTHMA THERAPY; INHIBITORS OF PDE 4 ISOENZYME; DOWN REGULATE OR INHIBIT TNF-ALPHA RELEASE NOVARTIS AG (CH) 2002-06-25 US disclosed
US-20020028831-A1 Phenylpyridine derivatives useful as phosphodiesterase inhibitors MANLEY PAUL W (CH) 2002-03-07 US disclosed
US-6288092-B1 BIPHENYL PYRIDINES, BENZAMIDES AND PENYLCARBOXY COMPOUNDS USED AS SELECTIVE INHIBITORS OF PHOSPHODIESTERASE 4 ISOENZYME ACTIVITY AND DOWN REGULATORS OR INHIBIT TUMOR NECROSIS FACTOR RELEASE; ANTIHISTAMINES AND ANTIINFLAMMATORY NOVARTIS AG (CH) 2001-09-11 US disclosed
US-6258843-B1 DRUGS AS ENZYME INHIBITORS NOVARTIS AG (CH) 2001-07-10 US disclosed
US-6160131-A Scalable method for the isolation of anti-HIV agents from the tropical plant calophyllum SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 2000-12-12 US disclosed
US-6090817-A Phenylpyridine derivatives useful as phosphodiesterase inhibitors NOVARTIS AG (CH) 2000-07-18 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 (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-20020028831-A1 Phenylpyridine derivatives useful as phosphodiesterase inhibitors PDE4A, PDE4B, PDE12 GAA 270/4885MGAM 1886/4885SI 1398/4885
US-20100144774-A1 HETEROCYCLIC SPIRO-COMPOUNDS REN, NR3C2, CYP21A2 GAA 1849/4885MGAM 2985/4885SI 1692/4885

“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.