SCHEMBL21098676

SCHEMBL21098676

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 12/20 0.41
FFAR1 O14842 6/20 0.41
BRD4 O60885 1/20 0.40
MAOB P27338 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
MCL1 Q07820 1/20 0.38
PDK2 Q15119 2/20 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
SCHEMBL21099222 0.92 FFAR4 (0.40) FFAR4FFAR1MAOBPDE3BPDE3A
SCHEMBL21052437 0.85 ALB (0.42) FFAR4FFAR1BRD4MAOBPDE3B
SCHEMBL30231915 0.84 BRD4 (0.61) FFAR1BRD4PDE3BPDE3AP2RY12
SCHEMBL21098799 0.84 BRD4 (0.61) FFAR1BRD4PDE3BPDE3AP2RY12
SCHEMBL21098681 0.77 RXRA (0.41) FFAR4MAOBPDE3BPDE3AP2RY12
SCHEMBL21052000 0.77 BRD4 (0.53) FFAR1BRD4PDE3BPDE3AP2RY12
SCHEMBL21098760 0.76 KDM4E (0.41) FFAR4FFAR1PDK2
SCHEMBL21098683 0.75 MAOB (0.63) BRD4MAOB
SCHEMBL21098668 0.74 PPARD (0.40) FFAR4FFAR1MAOBMCL1
SCHEMBL22412334 0.74 MAOB (0.51) FFAR1BRD4MAOB

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 FFAR4 2768/4885FFAR1 3835/4885BRD4 819/4885
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof AADAC, HDAC8, KAT8 FFAR4 2895/4885FFAR1 3745/4885BRD4 1073/4885

“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.