SCHEMBL22057715

SCHEMBL22057715

O=C1CC(c2ccccc2)CC(=O)C1=CNCCCN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP1LC3B Q9GZQ8 3/20 0.56
▸ CYP2C19 P33261 1/20 0.54
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ POLB P06746 3/20 0.44
▸ TSHR P16473 2/20 0.43
▸ GAA P10253 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ MAPT P10636 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
SCHEMBL22056945 0.93 CYP2C19 (0.58) MAP1LC3BCYP2C19KMT2AMEN1ALDH1A1
SCHEMBL21821712 0.84 CYP2C19 (0.46) MAP1LC3BCYP2C19ALDH1A1KDM4ESMN1; SMN2
SCHEMBL26530728 0.80 MEN1 (0.49) MAP1LC3BCYP2C19KMT2AMEN1
SCHEMBL21822002 0.79 MEN1 (0.48) MAP1LC3BCYP2C19KMT2AMEN1ALDH1A1
SCHEMBL26523405 0.79 MEN1 (0.48) MAP1LC3BCYP2C19KMT2AMEN1
SCHEMBL21821591 0.79 SLC18A3 (0.50) MAP1LC3BCYP2C19KMT2AMEN1ALDH1A1
SCHEMBL21821938 0.79 HIF1A (0.46) MAP1LC3BCYP2C19KMT2AALDH1A1SMN1; SMN2
SCHEMBL21821863 0.78 MAP1LC3B (0.48) MAP1LC3BKMT2AMEN1ALDH1A1KDM4E
SCHEMBL22056807 0.78 MAP1LC3B (0.50) MAP1LC3BKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL21821902 0.77 MAP1LC3B (0.49) MAP1LC3BKMT2AMEN1ALDH1A1SMN1; SMN2

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 MAP1LC3B 10/4885CYP2C19 4610/4885KMT2A 2087/4885
US-11529321-B2 Use of aminomethylenecyclohexane-1,3-dione compound ATG7, BECN1, SQSTM1 MAP1LC3B 10/4885CYP2C19 4610/4885KMT2A 2087/4885

“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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