SCHEMBL22409595

SCHEMBL22409595

CCC1(C)OC(=O)C(=CC=Cc2cccc3ccccc23)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ RXRA P19793 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ CHAT P28329 3/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ SMPD2 O60906 1/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ ELANE P08246 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TNNI3 P19429 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL22423748 0.88 APP (0.44) MTNR1AMTNR1BRXRAMEN1KMT2A
SCHEMBL22409619 0.88 APP (0.44) MTNR1AMTNR1BRXRAMEN1KMT2A
SCHEMBL22409638 0.85 AURKA (0.39) MEN1MAPTKMT2APOLBTNNI3
SCHEMBL22409634 0.82 NR1I2 (0.35) MEN1MAPTKMT2AELANEKDM4E
SCHEMBL22423779 0.82 NR1I2 (0.35) MEN1MAPTKMT2AELANEKDM4E
SCHEMBL22409632 0.81 APP (0.33) MEN1MAPTKMT2AKDM4EPOLB
SCHEMBL22423745 0.81 MAPT (0.41) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL22409630 0.81 MAPT (0.41) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL22409635 0.79 MAPT (0.42) MEN1MAPTKMT2AKDM4EPOLB
SCHEMBL22409646 0.79 KDM4E (0.43) MTNR1AMTNR1BRXRAMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161823-B2 Anticancer 1,3-dioxane-4,6-dione derivatives and method of combinatorial synthesis thereof NATIONAL GUARD HEALTH AFFAIRS (SA) 2021-11-02 — — US disclosed
US-20200290975-A1 ANTICANCER 1,3-DIOXANE-4,6-DIONE DERIVATIVES AND METHOD OF COMBINATORIAL SYNTHESIS THEREOF NATIONAL GUARD HEALTH AFFAIRS (SA) 2020-09-17 — — 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 (2 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-11161823-B2 Anticancer 1,3-dioxane-4,6-dione derivatives and method of combinatorial synthesis thereof PDK1, PDHA1, PDHA2 MTNR1A 2329/4885MTNR1B 2689/4885RXRA 2235/4885
US-20200290975-A1 ANTICANCER 1,3-DIOXANE-4,6-DIONE DERIVATIVES AND METHOD OF COMBINATORIAL SYNTHESIS THEREOF PDK1, PDHA1, PDHA2 MTNR1A 2329/4885MTNR1B 2689/4885RXRA 2235/4885

“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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