SCHEMBL6847856

SCHEMBL6847856

CCOC(=O)C#CC(=O)CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
LMNA P02545 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP8 P22894 1/20 0.33
CA2 P00918 1/20 0.32
FFAR1 O14842 1/20 0.32
TRPA1 O75762 1/20 0.31
TP53 P04637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL18446 0.80 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL2123154 0.80 TDP1 (0.50) ALDH1A1TDP1CA2FFAR1
SCHEMBL20109902 0.74 ALDH1A1 (0.34) ALDH1A1LMNATDP1HSD17B10TP53
SCHEMBL20066991 0.73 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL3144067 0.73 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL16811766 0.73 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL497771 0.72 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL8137496 0.72 TDP1 (0.42) ALDH1A1TDP1CA2FFAR1
SCHEMBL6824967 0.72 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL2945943 0.72 GAA (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770646-B2 PYRROLO-, THIENO-, FURANO-AND PYRAZOLO-(3,4-D)-PYRIDAZINONES; USED FOR TREATING REVERSIBLE OBSTRUCTIVE AIRWAYS DISEASE AND EFFECTING IMMUNOSUPPRESSION ASTRAZENECA AB (SE) 2004-08-03 US disclosed
EP-1036076-B1 NOVEL COMPOUNDS ASTRAZENECA UK LTD (GB) 2002-09-04 EP disclosed
US-20020099055-A1 Novel compounds ASTRAZENECA AB. 2002-07-25 US disclosed
US-6342601-B1 TREATING ALLOGRAFT REJECTION, RHEUMATOID ARTHRITIS ASTRAZENECA AB (SE) 2002-01-29 US disclosed
CN-1284079-A Novel compounds ASTRA ZENECA BRITISH LTD (GB) 2001-02-14 CN disclosed
EP-1036076-A1 NOVEL COMPOUNDS AstraZeneca UK Limited (GB) 2000-09-20 EP disclosed
WO-1999029695-A1 NOVEL COMPOUNDS ASTRAZENECA UK LIMITED (GB) 1999-06-17 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 (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-20020099055-A1 Novel compounds THPO, CYP4B1, CYP3A4 ALDH1A1 2122/4885LMNA 2760/4885TDP1 3244/4885

“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.