SCHEMBL21098799

SCHEMBL21098799

CCOC(=O)CCCOc1cc(F)c2c(c1)CCC2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.61
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
PDK2 Q15119 2/20 0.40
P2RY12 Q9H244 1/20 0.40
CYSLTR2 Q9NS75 3/20 0.38
CYSLTR1 Q9Y271 3/20 0.38
FFAR1 O14842 1/20 0.37
TNF P01375 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
LTA4H P09960 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL30231915 1.00 BRD4 (0.61) BRD4PDE3BPDE3APDK2P2RY12
SCHEMBL21052000 0.93 BRD4 (0.53) BRD4PDE3BPDE3APDK2P2RY12
SCHEMBL21098791 0.87 BRD4 (0.62) BRD4PDE3BPDE3APDK2P2RY12
SCHEMBL30231849 0.87 BRD4 (0.62) BRD4PDE3BPDE3APDK2P2RY12
SCHEMBL21098676 0.84 FFAR4 (0.41) BRD4PDE3BPDE3APDK2P2RY12
SCHEMBL21098943 0.78 BRD4 (0.52) BRD4PDE3BPDE3AP2RY12TNF
SCHEMBL22815609 0.78 BRD4 (0.82) BRD4PDE3BPDE3APDK2P2RY12
SCHEMBL16335105 0.77 PDK2 (0.48) BRD4PDE3BPDE3APDK2P2RY12
SCHEMBL21099222 0.77 FFAR4 (0.40) PDE3BPDE3AP2RY12FFAR1SMN1; SMN2
SCHEMBL29198000 0.75 BRD4 (0.51) BRD4PDE3BPDE3APDK2P2RY12

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 819/4885PDE3B 2718/4885PDE3A 2223/4885
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof AADAC, HDAC8, KAT8 BRD4 1073/4885PDE3B 2466/4885PDE3A 2038/4885

“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.