SCHEMBL6333012

SCHEMBL6333012

CC(C)(C)OC(=O)N1CCCC1c1noc(CCC(=O)O)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TSHR P16473 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 3/20 0.40
MIF P14174 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CPT1A P50416 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL6463093 0.97 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL6328098 0.89 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL6326083 0.86 MIF (0.41) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL6328194 0.83 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMIFHSD17B10
SCHEMBL29176499 0.83 CPT1A (0.47) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL29176498 0.83 CPT1A (0.47) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL6323599 0.81 GPR119 (0.46) MIFMAPT
SCHEMBL29176556 0.81 CPT1A (0.46) MEN1KMT2ACPT1A
SCHEMBL29176558 0.81 CPT1A (0.46) MEN1KMT2ACPT1A
SCHEMBL6463331 0.80 MIF (0.40) TSHRLMNAMIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
CN-1568187-A 2H-2,3-dinitrogen phenodiazine-1-ketone and using method thereof ICOS CORP (US) 2005-01-19 CN disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 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 (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 338/4885TSHR 4656/4885MEN1 2080/4885

“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.