SCHEMBL6847579

SCHEMBL6847579

COC(=O)c1c[nH]cc1C(=O)CC(C)C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 1/20 0.39
FFAR1 O14842 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR4A2 P43354 1/20 0.37
CREBBP Q92793 1/20 0.37
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL69740 0.80 NR4A2 (0.48) ALDH1A1LMNANR4A2CREBBPGAA
SCHEMBL261551 0.72 NOTUM (0.52) ALDH1A1LMNANR4A2CREBBPGAA
SCHEMBL1156156 0.72 NR4A2 (0.40) ALDH1A1LMNASMN1; SMN2NR4A2CREBBP
SCHEMBL2654324 0.70 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2GAAHPGD
SCHEMBL6360802 0.70 NPSR1 (0.49) ALDH1A1TDP1LMNASMN1; SMN2GAA
SCHEMBL3563589 0.70 MAPT (0.55) ALDH1A1LMNANR4A2CREBBPGAA
SCHEMBL1156440 0.69 NR4A2 (0.41) ALDH1A1LMNANR4A2CREBBPBAZ2B
SCHEMBL28130079 0.69 ALDH1A1 (0.41) ALDH1A1FFAR1LMNAHPGD
SCHEMBL1155989 0.69 NOTUM (0.58) ALDH1A1TDP1LMNANR4A2CREBBP
SCHEMBL9549453 0.67 KDM4E (0.50) ALDH1A1LMNANR4A2CREBBPGAA

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 6 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
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 2122/4885TDP1 3244/4885FFAR1 3890/4885

“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.