SCHEMBL9965287

SCHEMBL9965287

CCCCCCCOCCOCCNC(=O)CCCCCNC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(OC(=O)C(C)(C)C)cc2Oc2cc(OC(=O)C(C)(C)C)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.38
▸ GSTP1 P09211 1/20 0.38
▸ ITPR3 Q14573 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ NT5E P21589 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MMP14 P50281 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
SCHEMBL12964684 0.95 ALB (0.44) ALBMAPTMEN1ALDH1A1KMT2A
SCHEMBL4403233 0.94 GSTP1 (0.41) ALBMAPTMEN1ALDH1A1KMT2A
SCHEMBL18950720 0.90 GSTP1 (0.38) ALBMAPTMEN1ALDH1A1KMT2A
SCHEMBL4403236 0.89 GSTP1 (0.45) ALBMAPTMEN1ALDH1A1KMT2A
SCHEMBL23758534 0.86 GSTP1 (0.44) ALBMAPTMEN1ALDH1A1KMT2A
SCHEMBL13881238 0.86 GSTP1 (0.46) ALBMAPTMEN1ALDH1A1KMT2A
SCHEMBL13193883 0.85 GSTP1 (0.43) ALBMAPTMEN1ALDH1A1KMT2A
SCHEMBL12951612 0.85 GSTP1 (0.42) ALBMAPTMEN1ALDH1A1KMT2A
SCHEMBL12925030 0.84 MAPT (0.40) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL12085744 0.84 LMNA (0.39) MAPTMEN1ALDH1A1KMT2ALMNA

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
US-20120258470-A1 COMPOSITIONS COMPRISING A DEHALOGENASE SUBSTRATE AND A RADIONUCLIDE AND METHODS OF USE PROMEGA CORPORATION (US) 2012-10-11 — — US disclosed
US-8202700-B2 Method of immobilizing a protein or molecule via a mutant dehalogenase that is bound to an immobilized dehalogenase substrate and linked directly or indirectly to the protein or molecule PROMEGA CORPORATION (US) 2012-06-19 — — US disclosed
US-RE42931-E1 Covalent tethering of functional groups to proteins PROMEGA CORPORATION (US) 2011-11-15 — — US disclosed
US-20110207195-A1 METHOD OF IMMOBILIZING A PROTEIN OR MOLECULE VIA A MUTANT DEHALOGENASE THAT IS BOUND TO AN IMMOBILIZED DEHALOGENASE SUBSTRATE AND LINKED DIRECTLY OR INDIRECTLY TO THE PROTEIN OR MOLECULE PROMEGA CORPORATION (US) 2011-08-25 — — US disclosed
US-20080274488-A1 Covalent tethering of functional groups to proteins and substrates therefor PROMEGA CORPORATION 2008-11-06 — — 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-20120258470-A1 COMPOSITIONS COMPRISING A DEHALOGENASE SUBSTRATE AND A RADIONUCLIDE AND METHODS OF USE HDHD5, DNPH1, DOHH ALB 1964/4885MAPT 4087/4885MEN1 2134/4885

“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.

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