SCHEMBL22057705

SCHEMBL22057705

O=C1CC(c2ccco2)CC(=O)C1=CNCCN1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.59
▸ ALDH1A1 P00352 10/20 0.59
▸ MAP1LC3B Q9GZQ8 6/20 0.59
▸ KDM4E B2RXH2 4/20 0.59
▸ TDP1 Q9NUW8 5/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ ATM Q13315 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ POLB P06746 3/20 0.40
▸ NLRP3 Q96P20 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ SHMT2 P34897 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
SCHEMBL21821723 0.87 MAPT (0.47) MAPTALDH1A1MAP1LC3BKDM4ETDP1
SCHEMBL21822002 0.83 MEN1 (0.48) MAPTALDH1A1MAP1LC3BKDM4EALOX15
SCHEMBL22056800 0.80 MAPT (0.67) MAPTALDH1A1MAP1LC3BKDM4EALOX15
SCHEMBL22057717 0.79 MAP1LC3B (0.58) MAPTALDH1A1MAP1LC3BKDM4EPOLB
SCHEMBL21821944 0.79 MAP1LC3B (0.57) MAPTALDH1A1MAP1LC3BKDM4EKMT2A
SCHEMBL22057831 0.79 MAP1LC3B (0.57) MAPTALDH1A1MAP1LC3BKDM4E
SCHEMBL22056819 0.78 MAPT (0.56) MAPTALDH1A1MAP1LC3BKDM4ETDP1
SCHEMBL22056803 0.78 ALDH1A1 (0.66) MAPTALDH1A1MAP1LC3BKDM4EALOX15
SCHEMBL22056804 0.76 MAP1LC3B (0.59) MAPTALDH1A1MAP1LC3BKMT2AMEN1
SCHEMBL22056945 0.71 CYP2C19 (0.58) MAPTALDH1A1MAP1LC3BKDM4EKMT2A

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 MAPT 584/4885ALDH1A1 3815/4885MAP1LC3B 10/4885
US-11529321-B2 Use of aminomethylenecyclohexane-1,3-dione compound ATG7, BECN1, SQSTM1 MAPT 584/4885ALDH1A1 3815/4885MAP1LC3B 10/4885

“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.

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