SCHEMBL21795162

SCHEMBL21795162

CC=C1C(=O)CC(c2ccc(OC)cc2)CC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 1/20 0.51
MAP1LC3B Q9GZQ8 5/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.45
LDHA P00338 1/20 0.45
LDHB P07195 1/20 0.45
USP2 O75604 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL21774003 0.83 MAP1LC3B (0.70) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL21795165 0.81 MAP1LC3B (0.68) KMT2AMEN1SMN1; SMN2MAP1LC3BHPGD
SCHEMBL21795161 0.79 MAP1LC3B (0.67) ALDH1A1KMT2AMEN1MAP1LC3BMAPT
SCHEMBL428339 0.78 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL1177339 0.75 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL2474471 0.74 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL14492202 0.74 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL10815794 0.73 CYP19A1 (0.66) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL1176975 0.72 MAPT (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL21822038 0.71 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200069609-A1 METHOD FOR COVALENT BOND MODIFYING MAMMALIAN ATG8 HOMOLOGUE Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-03-05 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 (1 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-20200069609-A1 METHOD FOR COVALENT BOND MODIFYING MAMMALIAN ATG8 HOMOLOGUE ATG7, ATG4A, MLST8 ALDH1A1 4094/4885KMT2A 1235/4885MEN1 3270/4885

“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.