SCHEMBL22057713

SCHEMBL22057713

CC1CCC(=O)/C(=C\N(C)C)C1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAP1LC3B Q9GZQ8 6/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
CREBBP Q92793 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL6837455 1.00 SMN1; SMN2 (0.39) SMN1; SMN2TP53POLBCTDSP1TDP1
SCHEMBL6837117 0.81 MAPT (0.36) SMN1; SMN2TP53POLBCTDSP1TDP1
SCHEMBL27244319 0.76 MAP1LC3B (0.33) MAPTMAP1LC3BHTTLMNACYP2C9
SCHEMBL21134123 0.76 MAP1LC3B (0.33) MAPTMAP1LC3BHTTLMNACYP2C9
SCHEMBL27244325 0.76 MAP1LC3B (0.33) MAPTMAP1LC3BHTTLMNACYP2C9
SCHEMBL18700848 0.76 MAPT (0.34) SMN1; SMN2TDP1L3MBTL1MAPTGAA
SCHEMBL18700849 0.76 MAPT (0.34) SMN1; SMN2TDP1L3MBTL1MAPTGAA
SCHEMBL27244359 0.76 MAP1LC3B (0.33) MAPTMAP1LC3BHTTLMNACYP2C9
SCHEMBL6837311 0.74 MAP1LC3B (0.47) SMN1; SMN2TP53POLBCTDSP1TDP1
SCHEMBL10207848 0.73 MAPT (0.37) SMN1; SMN2TP53POLBCTDSP1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11529321-B2 Use of aminomethylenecyclohexane-1,3-dione compound Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2022-12-20 US disclosed
US-20200170966-A1 USE OF AMINOMETHYLENECYCLOHEXANE-1,3-DIONE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-06-04 US 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-20200170966-A1 USE OF AMINOMETHYLENECYCLOHEXANE-1,3-DIONE COMPOUND ATG7, BECN1, SQSTM1 SMN1; SMN2 1875/4885TP53 2049/4885POLB 4228/4885
US-11529321-B2 Use of aminomethylenecyclohexane-1,3-dione compound ATG7, BECN1, SQSTM1 SMN1; SMN2 1875/4885TP53 2049/4885POLB 4228/4885

“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.