SCHEMBL24377052

SCHEMBL24377052

CC(C)(C)[Si](C)(C)Oc1ccc(C2(O)C(=O)Nc3c(C(F)(F)F)cccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PREP P48147 3/20 0.33
CES1 P23141 1/20 0.33
BRD4 O60885 2/20 0.32
POLB P06746 1/20 0.32
CASP6 P55212 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
ACHE P22303 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PARP1 P09874 1/20 0.31
HSD11B1 P28845 1/20 0.30
CNR1 P21554 1/20 0.30
HTT P42858 1/20 0.30
GPR35 Q9HC97 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30

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
SCHEMBL24377053 0.85 PDE7A (0.35) PDE7AL3MBTL1PREPCES1CA12
SCHEMBL22111802 0.82 PDE7A (0.39) PDE7ACES1POLBCASP6ACHE
SCHEMBL31003697 0.80 POLB (0.36) PREPBRD4POLBCASP6CA12
SCHEMBL22076823 0.79 GPR55 (0.45) PDE7ACES1POLBCASP6ACHE
SCHEMBL31003677 0.78 ADAM17 (0.38) PDE7AL3MBTL1PREPBRD4
SCHEMBL31184980 0.76 PDE7A (0.31) PDE7AL3MBTL1PREP
SCHEMBL3076828 0.76 MMP2 (0.46)
SCHEMBL31355583 0.71 DYRK3 (0.41) PDE7ABRD4POLBCASP6
SCHEMBL22076813 0.70 CNR1 (0.47) L3MBTL1BRD4POLBCASP6CNR1
SCHEMBL11733669 0.69 PDE7A (0.47) PDE7ACES1POLBACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118812517-A Antitumor compounds as UPR agonists and uses thereof 南京圣和药业股份有限公司 2024-10-22 CN disclosed
WO-2024175114-A1 BORON CONTAINING COMPOUNDS AND THERAPEUTIC USES THEREOF Shanghai Yuyao Biotech Ltd. (CN) 2024-08-29 WO disclosed
US-20230391721-A1 ANTICANCER COMPOUNDS SELECTIVE FOR ER-POSITIVE CANCERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-12-07 US disclosed
CN-116723841-A Anticancer compounds selective for ER-positive cancers 伊利诺伊大学董事会 2023-09-08 CN disclosed
EP-4232038-A1 ANTICANCER COMPOUNDS SELECTIVE FOR ER-POSITIVE CANCERS The Board of Trustees of the University of Illinois (US) 2023-08-30 EP disclosed
WO-2022087234-A1 ANTICANCER COMPOUNDS SELECTIVE FOR ER-POSITIVE CANCERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-04-28 WO disclosed
WO-2022087234-A1 ANTICANCER COMPOUNDS SELECTIVE FOR ER-POSITIVE CANCERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-04-28 WO 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-20230391721-A1 ANTICANCER COMPOUNDS SELECTIVE FOR ER-POSITIVE CANCERS ESR1, ESR2, ESRRG PDE7A 3103/4885L3MBTL1 825/4885PREP 1548/4885

“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.