SCHEMBL8035574

SCHEMBL8035574

O=C(N[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.55
TP53 P04637 3/20 0.55
CASP3 P42574 2/20 0.49
MDM2 Q00987 5/20 0.49
TNF P01375 1/20 0.47
TLR2 O60603 2/20 0.47
KMT2A Q03164 1/20 0.46
SLC17A5 Q9NRA2 1/20 0.46

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
SCHEMBL31714219 1.00 MDM4 (0.55) MDM4TP53CASP3MDM2TNF
SCHEMBL29399025 1.00 MDM4 (0.55) MDM4TP53CASP3MDM2TNF
SCHEMBL29398330 1.00 MDM4 (0.55) MDM4TP53CASP3MDM2TNF
SCHEMBL8059732 0.92 MDM2 (0.55) MDM4TP53CASP3MDM2TNF
SCHEMBL31749819 0.92 MDM2 (0.55) MDM4TP53CASP3MDM2TNF
SCHEMBL25280271 0.92 MDM2 (0.55) MDM4TP53CASP3MDM2TNF
SCHEMBL23157053 0.91 MDM4 (0.49) MDM4TP53CASP3MDM2TLR2
SCHEMBL119491 0.89 MDM4 (0.54) MDM4TP53CASP3MDM2TLR2
SCHEMBL1312329 0.89 MDM4 (0.54) MDM4TP53CASP3MDM2TLR2
SCHEMBL30191631 0.89 MDM4 (0.54) MDM4TP53CASP3MDM2TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250250226-A1 IONIZABLE COMPOUNDS AND COMPOSITIONS AND USES THEREOF NITTO DENKO CORP (JP) 2025-08-07 US disclosed
US-12319643-B2 Ionizable compounds and compositions and uses thereof NITTO DENKO CORPORATION (JP) 2025-06-03 US disclosed
US-20220242820-A1 IONIZABLE COMPOUNDS AND COMPOSITIONS AND USES THEREOF NITTO DENKO CORPORATION (JP) 2022-08-04 US disclosed
US-11384051-B2 Ionizable compounds and compositions and uses thereof NITTO DENKO CORPORATION (JP) 2022-07-12 US disclosed
EP-3313449-B1 IONIZABLE COMPOUNDS AND COMPOSITIONS AND USES THEREOF NITTO DENKO CORP (JP) 2020-09-23 EP disclosed
EP-3686184-A2 IONIZABLE COMPOUNDS AND COMPOSITIONS AND USES THEREOF NITTO DENKO CORPORATION (JP) 2020-07-29 EP disclosed
US-20190127318-A1 IONIZABLE COMPOUNDS AND COMPOSITIONS AND USES THEREOF NITTO DENKO CORPORATION (JP) 2019-05-02 US disclosed
US-10167253-B2 Ionizable compounds and compositions and uses thereof NITTO DENKO CORPORATION (JP) 2019-01-01 US disclosed
US-20160376229-A1 IONIZABLE COMPOUNDS AND COMPOSITIONS AND USES THEREOF NITTO DENKO CORPORATION (JP) 2016-12-29 US disclosed
US-9409952-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-08-09 US disclosed
US-9409952-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-08-09 US disclosed
US-20160021882-A1 APPLICATION OF BIOFILM FORMATION INHIBITING COMPOUNDS ENHANCES CONTROL OF CITRUS CANKER UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2016-01-28 US disclosed
US-20160021882-A1 APPLICATION OF BIOFILM FORMATION INHIBITING COMPOUNDS ENHANCES CONTROL OF CITRUS CANKER UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2016-01-28 US disclosed
CN-101146545-B Mucin hypersecretion inhibitors based on the structure of MANS and methods of use BIOMARCK PHARMACEUTICALS LTD 2012-12-26 CN disclosed
CN-101146545-A Mucin hypersecretion inhibitors based on the structure of MANS and methods of use BIOMARCK PHARMACEUTICALS LTD (US) 2008-03-19 CN disclosed
EP-0989136-A1 PEPTIDES HAVING CYCLIC STRUCTURES AND EXERTING P53 PROTEIN ACTIVTY-RESTORING EFFECT ON P53 PROTEIN MUTANTS KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-03-29 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 (8 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-20220242820-A1 IONIZABLE COMPOUNDS AND COMPOSITIONS AND USES THEREOF NCL, RNASE1, RNMT MDM4 2176/4885TP53 97/4885CASP3 1459/4885
US-20250250226-A1 IONIZABLE COMPOUNDS AND COMPOSITIONS AND USES THEREOF NCL, RNASE1, RNMT MDM4 2176/4885TP53 97/4885CASP3 1459/4885
US-10167253-B2 Ionizable compounds and compositions and uses thereof NCL, CHMP4B, RNASE1 MDM4 1986/4885TP53 263/4885CASP3 2028/4885
US-20160376229-A1 IONIZABLE COMPOUNDS AND COMPOSITIONS AND USES THEREOF NCL, CHMP4B, RNASE1 MDM4 1986/4885TP53 263/4885CASP3 2028/4885
US-11384051-B2 Ionizable compounds and compositions and uses thereof NCL, CHMP4B, RNASE1 MDM4 1986/4885TP53 263/4885CASP3 2028/4885
US-20190127318-A1 IONIZABLE COMPOUNDS AND COMPOSITIONS AND USES THEREOF NCL, CHMP4B, RNASE1 MDM4 1986/4885TP53 263/4885CASP3 2028/4885
US-12319643-B2 Ionizable compounds and compositions and uses thereof NCL, RNASE1, RNMT MDM4 2176/4885TP53 97/4885CASP3 1459/4885
US-20160021882-A1 APPLICATION OF BIOFILM FORMATION INHIBITING COMPOUNDS ENHANCES CONTROL OF CITRUS CANKER XDH, MYB, DDC MDM4 2572/4885TP53 4486/4885CASP3 801/4885

“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.