SCHEMBL22057731

SCHEMBL22057731

CC1(C)CC(=O)C(=CNCCN2CCNC2=O)C(=O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 5/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
FPR3 P25089 3/20 0.33
FPR2 P25090 3/20 0.33
CREBBP Q92793 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MEN1 O00255 2/20 0.31
IRAK1 P51617 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGDS O60760 1/20 0.31

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
SCHEMBL22056801 0.77 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTRAB9AL3MBTL1
SCHEMBL21822043 0.74 ALDH1A1 (0.40) ALDH1A1KMT2AMAPTL3MBTL1POLB
SCHEMBL2652407 0.73 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTRAB9APOLB
SCHEMBL9803718 0.71 ALDH1A1 (0.37) ALDH1A1KMT2AMAPTL3MBTL1POLB
SCHEMBL22056813 0.69 ALDH1A1 (0.55) ALDH1A1MAPTPOLBUSP2LMNA
SCHEMBL6284446 0.69 KMT2A (0.51) ALDH1A1KMT2AMAPTRAB9APOLB
SCHEMBL471729 0.69 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTRAB9APOLB
SCHEMBL22056766 0.69 TP53 (0.53) ALDH1A1SMN1; SMN2
SCHEMBL11419796 0.67 KMT2A (0.49) ALDH1A1KMT2AMAPTRAB9APOLB
SCHEMBL22030392 0.67 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTRAB9APOLB

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 ALDH1A1 3815/4885KMT2A 2087/4885MAPT 584/4885
US-11529321-B2 Use of aminomethylenecyclohexane-1,3-dione compound ATG7, BECN1, SQSTM1 ALDH1A1 3815/4885KMT2A 2087/4885MAPT 584/4885

“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.