SCHEMBL22056945

SCHEMBL22056945

O=C1CC(c2ccccc2)CC(=O)C1=CNCCN1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.58
▸ MAP1LC3B Q9GZQ8 4/20 0.54
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ TSHR P16473 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ CARM1 Q86X55 1/20 0.41
▸ PRMT6 Q96LA8 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41
▸ MALT1 Q9UDY8 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL22057715 0.93 MAP1LC3B (0.56) CYP2C19MAP1LC3BMEN1KMT2ATSHR
SCHEMBL21821712 0.88 CYP2C19 (0.46) CYP2C19MAP1LC3BTSHRHPGDCD274
SCHEMBL26530728 0.87 MEN1 (0.49) CYP2C19MAP1LC3BMEN1KMT2ACARM1
SCHEMBL21821591 0.86 SLC18A3 (0.50) CYP2C19MAP1LC3BMEN1KMT2ATSHR
SCHEMBL26523405 0.86 MEN1 (0.48) CYP2C19MAP1LC3BMEN1KMT2ACARM1
SCHEMBL21822002 0.86 MEN1 (0.48) CYP2C19MAP1LC3BMEN1KMT2ATSHR
SCHEMBL21821938 0.83 HIF1A (0.46) CYP2C19MAP1LC3BKMT2ATSHRHPGD
SCHEMBL26523386 0.83 MEN1 (0.45) CYP2C19MAP1LC3BMEN1KMT2ACARM1
SCHEMBL21821892 0.82 MEN1 (0.44) CYP2C19MAP1LC3BMEN1KMT2ATSHR
SCHEMBL21792847 0.82 MEN1 (0.44) CYP2C19MAP1LC3BMEN1KMT2AUSP2

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 CYP2C19 4610/4885MAP1LC3B 10/4885MEN1 2306/4885
US-11529321-B2 Use of aminomethylenecyclohexane-1,3-dione compound ATG7, BECN1, SQSTM1 CYP2C19 4610/4885MAP1LC3B 10/4885MEN1 2306/4885

“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.

Send feedback