SCHEMBL22057749

SCHEMBL22057749

Cc1ccc(C2CC(=O)C(=CNCCN3CCN(C(=O)Cc4ccccc4)CC3)C(=O)C2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAP1LC3B Q9GZQ8 4/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ TSHR P16473 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ LMNA P02545 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ GPR183 P32249 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ HSD11B1 P28845 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ SIGMAR1 Q99720 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 1/20 0.40

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
SCHEMBL21821806 0.93 CYP3A4 (0.54) MAP1LC3BCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL21794939 0.87 KCNA5 (0.49) MAP1LC3BCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL21821609 0.85 MAP1LC3B (0.48) MAP1LC3BCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL21821560 0.84 MAP1LC3B (0.46) MAP1LC3BCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL21821876 0.84 MAP1LC3B (0.43) MAP1LC3BCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL21821705 0.84 MAP1LC3B (0.43) MAP1LC3BCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL21795151 0.83 MAPT (0.43) MAP1LC3BCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL21821996 0.83 MAP1LC3B (0.46) MAP1LC3BCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL21821814 0.82 MAP1LC3B (0.45) MAP1LC3BCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL21821987 0.82 CYP2C9 (0.42) MAP1LC3BCYP3A4CYP2C9TSHRCYP2C19

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 10/4885CYP3A4 4623/4885CYP2C9 4737/4885
US-11529321-B2 Use of aminomethylenecyclohexane-1,3-dione compound ATG7, BECN1, SQSTM1 MAP1LC3B 10/4885CYP3A4 4623/4885CYP2C9 4737/4885

“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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