SCHEMBL21052437

SCHEMBL21052437

O=C(O)CCCOc1cc(O)c2c(c1)CCC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.42
BRD4 O60885 1/20 0.41
XDH P47989 5/20 0.40
MCL1 Q07820 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MAOB P27338 1/20 0.36
ELANE P08246 1/20 0.36
FFAR1 O14842 2/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
TSHR P16473 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 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
SCHEMBL21098681 0.92 RXRA (0.41) ALBXDHMCL1PDE3BPDE3A
SCHEMBL21098676 0.85 FFAR4 (0.41) BRD4MCL1PDE3BPDE3AP2RY12
SCHEMBL21098791 0.83 BRD4 (0.62) BRD4PDE3BPDE3AP2RY12MAOB
SCHEMBL21098937 0.80 RXRA (0.41) ALBXDHMCL1PDE3BPDE3A
SCHEMBL22577960 0.79 TSHR (0.47) XDHMAOBTSHR
SCHEMBL21099222 0.77 FFAR4 (0.40) MCL1PDE3BPDE3AP2RY12MAOB
SCHEMBL21098683 0.76 MAOB (0.63) BRD4MAOBHRH3
SCHEMBL21098668 0.76 PPARD (0.40) MCL1MAOBFFAR1PPARGPPARD
SCHEMBL24650746 0.70 ALB (0.40) ALBXDHMCL1PDE3BPDE3A
SCHEMBL21052066 0.69 MAOB (0.67) MAOBFFAR4HRH3

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
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
EP-3720842-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF Ontario Institute For Cancer Research (CA) 2020-10-14 EP disclosed
WO-2019109188-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2019-06-13 WO 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 ALB 355/4885BRD4 819/4885XDH 434/4885
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof AADAC, HDAC8, KAT8 ALB 324/4885BRD4 1073/4885XDH 329/4885

“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.