SCHEMBL21098685

SCHEMBL21098685

COc1cc(OCCCC(=O)O)ccc1C(C)=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.53
CYSLTR1 Q9Y271 3/20 0.53
PPARD Q03181 2/20 0.52
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
FFAR1 O14842 4/20 0.47
FFAR4 Q5NUL3 3/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DHFR P00374 1/20 0.46
TSHR P16473 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL3661269 0.90 THRA (0.52) CYSLTR2CYSLTR1PPARDTHRATHRB
SCHEMBL7566083 0.90 MAPT (0.52) CYSLTR2CYSLTR1PPARDLMNASMN1; SMN2
SCHEMBL13926713 0.87 THRA (0.61) CYSLTR2CYSLTR1PPARDTHRATHRB
SCHEMBL1373516 0.85 LMNA (0.50) PPARDTHRATHRBLMNASMN1; SMN2
SCHEMBL10335441 0.85 LMNA (0.53) PPARDLMNASMN1; SMN2FFAR1FFAR4
SCHEMBL9525740 0.84 THRA (0.54) CYSLTR2CYSLTR1THRATHRBLMNA
SCHEMBL7406524 0.84 PPARD (0.59) CYSLTR2CYSLTR1PPARDLMNASMN1; SMN2
SCHEMBL2215253 0.82 PPARD (0.55) CYSLTR2CYSLTR1PPARDTHRATHRB
SCHEMBL6706308 0.82 TSHR (0.63) PPARDLMNAFFAR1FFAR4L3MBTL1
SCHEMBL21052036 0.82 PPARD (0.74) PPARD

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 CYSLTR2 1338/4885CYSLTR1 1633/4885PPARD 2646/4885
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof AADAC, HDAC8, KAT8 CYSLTR2 1059/4885CYSLTR1 1372/4885PPARD 2904/4885

“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.