SCHEMBL6463093

SCHEMBL6463093

CC(C)(C)OC(=O)N1CCCCC1c1noc(CCC(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CPT1A P50416 13/20 0.41
CPT2 P23786 6/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CPT1B Q92523 2/20 0.39
PDE8B O95263 1/20 0.39

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
SCHEMBL6333012 0.97 ALDH1A1 (0.45) ALDH1A1CPT1ATSHRMEN1KMT2A
SCHEMBL6326083 0.90 MIF (0.41) ALDH1A1CPT1ACPT2TSHRMEN1
SCHEMBL6328098 0.86 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL29176498 0.86 CPT1A (0.47) ALDH1A1CPT1ACPT2TSHRMEN1
SCHEMBL29176499 0.86 CPT1A (0.47) ALDH1A1CPT1ACPT2TSHRMEN1
SCHEMBL29176558 0.84 CPT1A (0.46) CPT1ACPT2MEN1KMT2ACPT1B
SCHEMBL29176556 0.84 CPT1A (0.46) CPT1ACPT2MEN1KMT2ACPT1B
SCHEMBL6326318 0.81 MIF (0.40) CPT1ACPT2TSHR
SCHEMBL12649187 0.81 ALDH1A1 (0.45) ALDH1A1CPT1ACPT2TSHRMEN1
SCHEMBL6323599 0.81 GPR119 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
CN-1568187-A 2H-2,3-dinitrogen phenodiazine-1-ketone and using method thereof ICOS CORP (US) 2005-01-19 CN disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 US disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 ALDH1A1 338/4885CPT1A 762/4885CPT2 849/4885

“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.