SCHEMBL12964684

SCHEMBL12964684

CCCCCCCOCCOCCNC(=O)CCCCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(OC(=O)C(C)(C)C)cc2Oc2cc(OC(=O)C(C)(C)C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 1/20 0.44
▸ GSTP1 P09211 1/20 0.42
▸ KCNH2 Q12809 3/20 0.41
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MMP14 P50281 1/20 0.38
▸ ITPR3 Q14573 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RORC P51449 1/20 0.36
▸ MIF P14174 1/20 0.35
▸ KDM4E B2RXH2 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
SCHEMBL9965287 0.95 ALB (0.39) ALBGSTP1KCNH2MAPTMEN1
SCHEMBL4403236 0.94 GSTP1 (0.45) ALBGSTP1KCNH2MAPTMEN1
SCHEMBL13881238 0.91 GSTP1 (0.46) ALBGSTP1KCNH2MAPTMEN1
SCHEMBL13193883 0.90 GSTP1 (0.43) ALBGSTP1KCNH2MAPTMEN1
SCHEMBL4403233 0.89 GSTP1 (0.41) ALBGSTP1KCNH2MAPTMEN1
SCHEMBL18950720 0.86 GSTP1 (0.38) ALBGSTP1KCNH2MAPTMEN1
SCHEMBL19431854 0.85 GSTP1 (0.47) ALBGSTP1KCNH2MAPTMEN1
SCHEMBL12925030 0.84 MAPT (0.40) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL12085744 0.84 LMNA (0.39) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL6879196 0.84 GSTP1 (0.50) ALBGSTP1KCNH2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120330001-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) 2012-12-27 — — US disclosed
US-20120252048-A1 COMPOSITIONS COMPRISING A DEHALOGENASE SUBSTRATE AND A CONTRAST AGENT AND METHODS OF USE PROMEGA CORPORATION (US) 2012-10-04 — — 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 (2 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-20120252048-A1 COMPOSITIONS COMPRISING A DEHALOGENASE SUBSTRATE AND A CONTRAST AGENT AND METHODS OF USE HDHD5, IDUA, DDAH1 ALB 1666/4885GSTP1 1022/4885KCNH2 4581/4885
US-20120330001-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 HDHD5, DDT, DDAH1 ALB 1166/4885GSTP1 417/4885KCNH2 4724/4885

“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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