SCHEMBL14768630

SCHEMBL14768630

CC(c1ccccc1)c1cc(C(C)c2ccccc2)c(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O)c(C(C)c2ccccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
KMT2A Q03164 4/20 0.34
TYR P14679 1/20 0.34
PTK2B Q14289 1/20 0.34
LMNA P02545 4/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 3/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
GLRA1 P23415 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TTR P02766 1/20 0.31
GMNN O75496 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
PMP22 Q01453 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL13392637 0.96 TYR (0.36) ALDH1A1KMT2ATYRLMNAKDM4E
SCHEMBL29336019 0.89 TYR (0.32) ALDH1A1KMT2ATYRLMNAMAPT
SCHEMBL19760409 0.83 TYR (0.38) ALDH1A1KMT2ATYRLMNASMN1; SMN2
SCHEMBL21894643 0.79 ANPEP (0.36) ALDH1A1KMT2ATYRLMNAMEN1
SCHEMBL15831118 0.78 THRB (0.40) ALDH1A1KMT2ATYRPTK2BLMNA
SCHEMBL27396377 0.77 TYR (0.38) ALDH1A1KMT2ATYRMAPK1MEN1
SCHEMBL1618270 0.77 ALDH1A1 (0.42) ALDH1A1KMT2ATYRGAAMAPK1
SCHEMBL26277706 0.77 TDP1 (0.36) ALDH1A1KMT2ALMNAKDM4EMAPT
SCHEMBL19654081 0.76 PKM (0.37) ALDH1A1TYRGLRA1POLB
SCHEMBL16804943 0.76 PKM (0.37) ALDH1A1TYRGLRA1POLB

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-20230292746-A1 MIXTURES AND COMPOSITIONS COMPRISING 5-FLUORO-4-IMINO-3- METHYL-1-TOSYL-3,4-DIHYDROPYRIMIDIN-2-ONE, AND METHODS OF USE THEREOF ADAMA MAKHTESHIM LTD. (IL) 2023-09-21 US disclosed
US-8883880-B2 Soluble shell polymer composition and method for its preparation ROHM AND HAAS COMPANY (US) 2014-11-11 US disclosed
US-20130066005-A1 SOLUBLE SHELL POLYMER COMPOSITION AND METHOD FOR ITS PREPARATION ROHM AND HAAS COMPANY 2013-03-14 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-20230292746-A1 MIXTURES AND COMPOSITIONS COMPRISING 5-FLUORO-4-IMINO-3- METHYL-1-TOSYL-3,4-DIHYDROPYRIMIDIN-2-ONE, AND METHODS OF USE THEREOF CYP3A5, CYP4B1, CYP51A1 ALDH1A1 352/4885KMT2A 1539/4885TYR 565/4885

“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.