SCHEMBL20520122

SCHEMBL20520122

CC(C)(C)OC(=O)COc1cc(OCC(=O)OC(C)(C)C)cc(-c2cc(C(=O)OCc3ccccc3)cc(-c3cc(OCC(=O)OC(C)(C)C)cc(OCC(=O)OC(C)(C)C)c3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.47
MAPT P10636 4/20 0.47
KMT2A Q03164 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HPGD P15428 2/20 0.44
POLB P06746 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTPN1 P18031 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
KDM5A P29375 1/20 0.41
HIF1A Q16665 1/20 0.39

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
SCHEMBL18736322 0.98 MAPT (0.47) LMNAMAPTKMT2ATDP1SLC6A2
SCHEMBL22520865 0.94 MAPT (0.48) LMNAMAPTKMT2ATDP1SLC6A2
SCHEMBL20759007 0.93 KMT2A (0.50) LMNAMAPTKMT2ATDP1SLC6A2
SCHEMBL20519922 0.92 PTPN1 (0.45) LMNAMAPTKMT2ATDP1SLC6A2
SCHEMBL18736253 0.91 MAPT (0.46) LMNAMAPTKMT2ATDP1SLC6A2
SCHEMBL22230427 0.85 KMT2A (0.45) LMNAMAPTKMT2ATDP1SLC6A2
SCHEMBL1968491 0.84 KMT2A (0.55) LMNAMAPTKMT2ATDP1SLC6A2
SCHEMBL18736332 0.84 TDP1 (0.54) LMNAMAPTKMT2ATDP1SLC6A2
SCHEMBL18703879 0.84 MAOB (0.52) LMNAMAPTKMT2ATDP1SLC6A2
SCHEMBL18705316 0.84 RAB9A (0.54) LMNAMAPTKMT2ATDP1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210369850-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Centauri Therapeutics Limited (GB/GB) (GB) 2021-12-02 US disclosed
US-20210369850-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Centauri Therapeutics Limited (GB/GB) (GB) 2021-12-02 US disclosed
US-10953100-B2 Compounds and therapeutic uses thereof CENTUARI THERAPEUTICS LIMITED (GB/GB) (GB) 2021-03-23 US disclosed
US-10953100-B2 Compounds and therapeutic uses thereof CENTUARI THERAPEUTICS LIMITED (GB/GB) (GB) 2021-03-23 US disclosed
US-20180280521-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CENTUARI THERAPEUTICS LIMITED (GB/GB) (GB) 2018-10-04 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 (3 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-20210369850-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CD47, MYD88, NFATC1 LMNA 3909/4885MAPT 2614/4885KMT2A 3670/4885
US-10953100-B2 Compounds and therapeutic uses thereof CD47, MYD88, NFATC1 LMNA 3909/4885MAPT 2614/4885KMT2A 3670/4885
US-20180280521-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CD47, MYD88, NFATC1 LMNA 3909/4885MAPT 2614/4885KMT2A 3670/4885

“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.