SCHEMBL21098941

SCHEMBL21098941

N=C1CCCc2cc(OCCCC(=O)O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.49
MAOB P27338 3/20 0.49
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ITGB3 P05106 4/20 0.45
ITGA2B P08514 4/20 0.45
PDK2 Q15119 1/20 0.44
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
P2RY12 Q9H244 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42

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 0.85 MAOB (0.67) MAOAMAOBFFAR4
SCHEMBL21098679 0.83 MAOB (0.63) MAOAMAOBALOX15TSHRHSD17B10
SCHEMBL21098683 0.80 MAOB (0.63) MAOAMAOBITGB3ITGA2B
SCHEMBL7752662 0.80 PDE3B (0.43) MAOAMAOBITGB3ITGA2BPDK2
SCHEMBL21098937 0.78 RXRA (0.41) RXRARXRBRXRGKDM4EPOLB
SCHEMBL21098795 0.77 MAOB (0.44) MAOAMAOBPPARGPPARD
SCHEMBL13254657 0.77 BRD4 (0.60) MAOAMAOBRXRARXRBRXRG
SCHEMBL7320294 0.76 TSHR (0.67) RXRARXRBRXRGKDM4EPOLB
SCHEMBL21052051 0.74 MAOB (0.60) MAOAMAOB
SCHEMBL21052060 0.74 MAOB (0.60) MAOAMAOB

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 MAOA 264/4885MAOB 255/4885RXRA 2321/4885
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof AADAC, HDAC8, KAT8 MAOA 220/4885MAOB 176/4885RXRA 2732/4885

“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.