SCHEMBL21098679

SCHEMBL21098679

O=C(O)CCCOc1ccc2c(c1)CCCCC2=O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.63
MAOA P21397 9/20 0.63
HRH3 Q9Y5N1 3/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
FFAR4 Q5NUL3 1/20 0.53

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
SCHEMBL21052066 0.97 MAOB (0.67) MAOBMAOAHRH3FFAR4
SCHEMBL21098683 0.92 MAOB (0.63) MAOBMAOAHRH3
SCHEMBL13254657 0.86 BRD4 (0.60) MAOBMAOAHRH3ALOX15TSHR
SCHEMBL21052060 0.86 MAOB (0.60) MAOBMAOAHRH3
SCHEMBL21052051 0.86 MAOB (0.60) MAOBMAOAHRH3
SCHEMBL21052076 0.84 BRD4 (0.71) MAOBMAOAHRH3
SCHEMBL7520647 0.83 ALOX15 (0.68) MAOBMAOAALOX15TSHRHSD17B10
SCHEMBL21098941 0.83 MAOA (0.49) MAOBMAOAALOX15TSHRHSD17B10
SCHEMBL17703887 0.80 MAOB (0.67) MAOBMAOAHRH3
SCHEMBL1377016 0.80 MAOB (0.69) MAOBMAOAHRH3

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 3 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-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 MAOB 255/4885MAOA 264/4885HRH3 229/4885
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof AADAC, HDAC8, KAT8 MAOB 176/4885MAOA 220/4885HRH3 170/4885

“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.