SCHEMBL21099222

SCHEMBL21099222

O=C(O)CCCOc1cc(F)c2c(c1)CCCC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 8/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
FFAR1 O14842 6/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
P2RY12 Q9H244 1/20 0.37
TSHR P16473 2/20 0.37
MCL1 Q07820 1/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 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
SCHEMBL21098676 0.92 FFAR4 (0.41) FFAR4MAOBFFAR1PDE3BPDE3A
SCHEMBL21098681 0.86 RXRA (0.41) FFAR4MAOAMAOBRXRARXRB
SCHEMBL21052000 0.84 BRD4 (0.53) FFAR1KDM4EPOLBPDE3BPDE3A
SCHEMBL21098668 0.82 PPARD (0.40) FFAR4MAOAMAOBFFAR1RXRA
SCHEMBL21098760 0.81 KDM4E (0.41) FFAR4FFAR1RXRARXRBRXRG
SCHEMBL21052437 0.77 ALB (0.42) FFAR4MAOBFFAR1RXRARXRB
SCHEMBL21098799 0.77 BRD4 (0.61) FFAR1PDE3BPDE3AP2RY12GAA
SCHEMBL30231915 0.77 BRD4 (0.61) FFAR1PDE3BPDE3AP2RY12GAA
SCHEMBL21052066 0.76 MAOB (0.67) FFAR4MAOAMAOB
SCHEMBL22773712 0.75 MAOA (0.41) FFAR4MAOAMAOBRXRARXRB

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 2768/4885MAOA 264/4885MAOB 255/4885
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof AADAC, HDAC8, KAT8 FFAR4 2895/4885MAOA 220/4885MAOB 176/4885

“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.