SCHEMBL21098943

SCHEMBL21098943

CCOC(=O)CCCOc1cc2c(c(OC)c1)C(=O)CCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.52
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
TNF P01375 7/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
PTPN1 P18031 3/20 0.40
P2RY12 Q9H244 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL21098668 0.86 PPARD (0.40) KDM4ENPC1LMNAGAAALOX15
SCHEMBL21052000 0.85 BRD4 (0.53) BRD4PDE4APDE4BPDE4CPDE4D
SCHEMBL21098791 0.79 BRD4 (0.62) BRD4TNFPDE3BPDE3APTPN1
SCHEMBL30231849 0.79 BRD4 (0.62) BRD4TNFPDE3BPDE3APTPN1
SCHEMBL30231915 0.78 BRD4 (0.61) BRD4PDE4APDE4BPDE4CPDE4D
SCHEMBL21098799 0.78 BRD4 (0.61) BRD4PDE4APDE4BPDE4CPDE4D
SCHEMBL22815495 0.77 MEN1 (0.41) BRD4KDM4ELMNAGAATSHR
SCHEMBL5842449 0.77 KDM4E (0.55) BRD4PDE4APDE4BPDE4CPDE4D
SCHEMBL3504578 0.76 BRD4 (0.86) BRD4PDE3BPDE3AP2RY12KDM4E
SCHEMBL21052076 0.76 BRD4 (0.71) BRD4PDE3BPDE3A

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-11576981-B2 Acyl hydrazone linkers, methods and uses thereof ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2023-02-14 US disclosed
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2023-02-14 US disclosed
US-20200397916-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-12-24 US disclosed
US-20200397916-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-12-24 US disclosed
WO-2019109188-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2019-06-13 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 (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-20200397916-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF KAT7, AADAC, HDAC7 BRD4 819/4885PDE4A 3417/4885PDE4B 3029/4885
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof AADAC, HDAC8, KAT8 BRD4 1073/4885PDE4A 3468/4885PDE4B 3160/4885

“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.