SCHEMBL6753757

SCHEMBL6753757

CCOC(=O)CC(=O)c1ccccc1.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.57
▸ MEN1 O00255 5/20 0.57
▸ NPC1 O15118 5/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ CES1 P23141 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ RAB9A P51151 4/20 0.56
▸ ALDH1A1 P00352 3/20 0.53
▸ GAA P10253 2/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ ERCC5 P28715 1/20 0.50
▸ FEN1 P39748 1/20 0.50
▸ MGAM O43451 1/20 0.50
▸ SI P14410 1/20 0.50

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
SCHEMBL124577 0.98 KMT2A (0.59) KMT2AMEN1NPC1SMN1; SMN2KDM4E
SCHEMBL17433632 0.96 KMT2A (0.57) KMT2AMEN1NPC1SMN1; SMN2KDM4E
SCHEMBL17433663 0.96 KMT2A (0.57) KMT2AMEN1NPC1SMN1; SMN2KDM4E
SCHEMBL28048836 0.96 KMT2A (0.57) KMT2AMEN1NPC1SMN1; SMN2KDM4E
SCHEMBL28792148 0.96 KMT2A (0.57) KMT2AMEN1NPC1SMN1; SMN2KDM4E
SCHEMBL17433560 0.96 KMT2A (0.57) KMT2AMEN1NPC1SMN1; SMN2KDM4E
SCHEMBL31439645 0.96 KMT2A (0.57) KMT2AMEN1NPC1SMN1; SMN2KDM4E
SCHEMBL28048838 0.96 KMT2A (0.57) KMT2AMEN1NPC1SMN1; SMN2KDM4E
SCHEMBL17433641 0.96 KMT2A (0.57) KMT2AMEN1NPC1SMN1; SMN2KDM4E
SCHEMBL28048832 0.96 KMT2A (0.57) KMT2AMEN1NPC1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116554029-B Synthesis method of aromatic formyl ethyl acetate 河北民族师范学院 2024-03-29 — — CN disclosed
CN-116554029-A Synthesis method of aromatic formyl ethyl acetate 河北民族师范学院 2023-08-08 — — CN disclosed
CN-101624519-B Preparation and application of pyrazolone-shrinking phenyl semicarbazide photochromic compounds UNIV XINJIANG 2012-08-08 — — CN disclosed
CN-101624519-A Preparation and application of pyrazolone-shrinking phenyl semicarbazide photochromic compounds UNIV XINJIANG 2010-01-13 — — CN disclosed
US-6706748-B2 USE AS MICROBICIDES NIHON BAYER AGROCHEM, K.K. (JP) 2004-03-16 — — US disclosed
US-20030220197-A1 Isothiazole derivatives NIHON BAYER AGROCHEM K.K. (JP) 2003-11-27 — — US disclosed
EP-1284970-A2 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2003-02-26 — — EP disclosed
WO-2001077090-A2 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-10-18 — — WO disclosed
US-4996120-A Free radical polymerization upon exposure to actinic radiation E. I. DUPONT DE NEMOURS AND COMPANY (US) 1991-02-26 — — US disclosed
US-4959284-A Holographic photopolymer compositions and elements containing a ring-opening monomer E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-09-25 — — US disclosed
EP-0377182-A2 Improved holographic photopolymer compositions and elements containing a ring-opening monomer E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-07-11 — — EP 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-20030220197-A1 Isothiazole derivatives IRF3, MSR1, ARG1 KMT2A 3359/4885MEN1 4222/4885NPC1 566/4885

“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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