SCHEMBL4361673

SCHEMBL4361673

O=CC(c1ccccc1)C(O)S(=O)(=O)O.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
SRC P12931 2/20 0.44
LMNA P02545 4/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
GMNN O75496 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2C19 P33261 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 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
SCHEMBL4365537 0.98 ALDH1A1 (0.48) ALDH1A1SRCLMNAKDM4EKMT2A
SCHEMBL4361678 0.80 ALDH1A1 (0.38) ALDH1A1SRCLMNAKDM4EKMT2A
SCHEMBL4359938 0.76 CA1 (0.41) ALDH1A1KMT2APOLBNPSR1TDP1
SCHEMBL7219233 0.76 CYP2D6 (0.46) ALDH1A1SRCLMNAKDM4EKMT2A
SCHEMBL4432460 0.75 CYP2D6 (0.48) ALDH1A1SRCLMNAKMT2ACYP2D6
SCHEMBL27862061 0.73 SRC (0.56) ALDH1A1SRCLMNAKDM4EKMT2A
SCHEMBL27396376 0.72 SRC (0.50) ALDH1A1SRCLMNAKDM4EKMT2A
SCHEMBL28423174 0.72 LMNA (0.43) ALDH1A1LMNAKDM4EKMT2AGMNN
SCHEMBL11036281 0.71 ALDH1A1 (0.57) ALDH1A1SRCLMNAKDM4EKMT2A
SCHEMBL27509018 0.71 ALDH1A1 (0.52) ALDH1A1SRCLMNAKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476767-B2 Alpha-hydroxy sulfonate aldehydes, germicidal compositions containing the alpha-hydroxy sulfonate aldehydes, or mixtures of alpha-hydroxy sulfonate aldehydes and phthalaldehydes, and methods of using the compounds or compositions for disinfection or sterilization ETHICON, INC. (US) 2009-01-13 US disclosed
US-7390837-B2 Germicidal compositions containing phenylmalonaldehyde-type compounds, or mixtures of phenylmalonaldehyde-type compounds and phthalaldehydes, and methods of using such compositions for disinfection or sterilization ETHICON, INC. (US) 2008-06-24 US disclosed
EP-1561478-A1 Germicidal compositions containing phenylmalonaldehyde-type compounds and methods of using such compositions for disinfection or sterilization ETHICON, INC. (US) 2005-08-10 EP disclosed
EP-1561475-A1 Germicidal compositions containing halogenated phthalaldehydes, and methods of using such compositions for disinfection or sterilization ETHICON, INC. (US) 2005-08-10 EP disclosed
EP-1561474-A1 Alpha-hydroxy sulfonate aldehydes, germicidal compositions containing the alpha-hydroxy sulfonate aldehydes, or mixtures of alpha-hydroxy sulfonate aldehydes and phthalaldehydes, and methods of using the compounds of compositions for disinfection or sterilization Ethicon, Inc. (US) 2005-08-10 EP disclosed
US-20050171216-A1 Germicidal compositions containing phthalaldehyde mixtures and methods of using such compositions for disinfection or sterilization ETHICON, INC. 2005-08-04 US disclosed
US-20050171215-A1 Germicidal compositions containing halogenated phthalaldehyes, and methods of using such compositions for disinfection or sterilization ETHICON, INC. 2005-08-04 US disclosed
US-20050171121-A1 Germicidal compositions containing phenylmalonaldehyde-type compounds, or mixtures of phenylmalonaldehyde-type compounds and phthalaldehydes, and methods of using such compositions for disinfection or sterilization ETHICON, INC. 2005-08-04 US disclosed
US-20050171201-A1 Alpha-hydroxy sulfonate aldehydes, germicidal compositions containing the alpha-hydroxy sulfonate aldehydes, or mixtures of alpha-hydroxy sulfonate aldehydes and phthalaldehydes, and methods of using the compounds or compositions for disinfection or sterilization ETHICON, INC. 2005-08-04 US disclosed
EP-1559435-A1 Germicidal compositions containing phthalaldehyde mixtures and methods of using such compositions for disinfection or sterilization Ethicon, Inc. (US) 2005-08-03 EP disclosed
EP-1559704-A1 Synthesis of 4-substituted phthalaldehyde ETHICON, INC. (US) 2005-08-03 EP disclosed
US-6891069-B1 Synthesis of 4-substituted phthalaldehyde ETHICON, INC. (US) 2005-05-10 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 (4 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-20050171216-A1 Germicidal compositions containing phthalaldehyde mixtures and methods of using such compositions for disinfection or sterilization ALPG, DDT, DHODH ALDH1A1 39/4885SRC 4124/4885LMNA 2843/4885
US-20050171215-A1 Germicidal compositions containing halogenated phthalaldehyes, and methods of using such compositions for disinfection or sterilization ALPG, G6PD, PGLS ALDH1A1 100/4885SRC 4209/4885LMNA 1787/4885
US-20050171201-A1 Alpha-hydroxy sulfonate aldehydes, germicidal compositions containing the alpha-hydroxy sulfonate aldehydes, or mixtures of alpha-hydroxy sulfonate aldehydes and phthalaldehydes, and methods of using the compounds or compositions for disinfection or sterilization TST, STS, BPNT1 ALDH1A1 7/4885SRC 1486/4885LMNA 2905/4885
US-20050171121-A1 Germicidal compositions containing phenylmalonaldehyde-type compounds, or mixtures of phenylmalonaldehyde-type compounds and phthalaldehydes, and methods of using such compositions for disinfection or sterilization APEH, ALPG, DDT ALDH1A1 17/4885SRC 4511/4885LMNA 2931/4885

“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.