SCHEMBL21098798

SCHEMBL21098798

COc1cc(F)c2c(c1)CCC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACHE P22303 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MAPK14 Q16539 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
EGFR P00533 3/20 0.37
NFE2L2 Q16236 1/20 0.37
PTK2 Q05397 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 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
SCHEMBL21098689 0.90 EGFR (0.41) MAOAKDM4EGAASMN1; SMN2ALDH1A1
SCHEMBL30232207 0.90 EGFR (0.41) MAOAKDM4EGAASMN1; SMN2ALDH1A1
SCHEMBL23599375 0.81 MAOA (0.40) MAOAKDM4EGAASMN1; SMN2ACHE
SCHEMBL29385499 0.80 KDM4E (0.45) MAOAKDM4EGAASMN1; SMN2ACHE
SCHEMBL1274286 0.80 ALDH1A1 (0.55) KDM4EGAAACHEALDH1A1CYP1A2
SCHEMBL12261421 0.80 KDM4E (0.45) MAOAKDM4EGAASMN1; SMN2ACHE
SCHEMBL6816982 0.79 KDM4E (0.57) KDM4EGAASMN1; SMN2ACHEALDH1A1
SCHEMBL12310550 0.79 TUBB4A (0.39) MAOAKDM4EGAASMN1; SMN2ACHE
SCHEMBL23599942 0.78 CYP24A1 (0.42) MAOAKDM4EGAASMN1; SMN2ACHE
SCHEMBL23891735 0.76 BRD4 (0.36)

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 MAOA 264/4885KDM4E 2310/4885GAA 392/4885
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof AADAC, HDAC8, KAT8 MAOA 220/4885KDM4E 2328/4885GAA 390/4885

“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.