SCHEMBL21149874

SCHEMBL21149874

CC(C)C(CC(=O)O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
ALDH1A1 P00352 6/20 0.50
POLB P06746 3/20 0.50
TP53 P04637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
NFKB1 P19838 1/20 0.50
APEX1 P27695 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TNF P01375 1/20 0.49
GAA P10253 1/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL21149873 1.00 LMNA (0.53) LMNAALDH1A1POLBTP53KDM4E
SCHEMBL30371843 1.00 LMNA (0.53) LMNAALDH1A1POLBTP53KDM4E
SCHEMBL8853249 0.83 TDP1 (0.62) LMNAALDH1A1POLBTP53KDM4E
SCHEMBL21149300 0.83 TP53 (0.47) LMNAALDH1A1POLBTP53KDM4E
SCHEMBL14929005 0.82 ALDH1A1 (0.51) LMNAALDH1A1POLBTP53TDP1
SCHEMBL13669517 0.81 LMNA (0.53) LMNAALDH1A1POLBTP53KDM4E
SCHEMBL31671417 0.81 LMNA (0.53) LMNAALDH1A1POLBTP53KDM4E
SCHEMBL30630019 0.81 LMNA (0.53) LMNAALDH1A1POLBTP53KDM4E
SCHEMBL820702 0.81 LMNA (0.53) LMNAALDH1A1POLBTP53KDM4E
SCHEMBL12942067 0.79 ALDH1A1 (0.56) LMNAALDH1A1POLBTP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11998901-B2 Metal complex, method for producing same, and method for producing gamma-lactam compound using same INSTITUTE FOR BASIC SCIENCE (KR) 2024-06-04 US disclosed
CN-111566116-B Novel metal complex, process for producing the same, and process for producing gamma-lactam compound using the same 基础科学研究院 2023-06-09 CN disclosed
US-20220168717-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME INSTITUTE FOR BASIC SCIENCE (KR) 2022-06-02 US disclosed
US-11344872-B2 Metal complex, method for producing same, and method for producing gamma-lactam compound using same INSTITUTE FOR BASIC SCIENCE (KR) 2022-05-31 US disclosed
US-20200330969-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-10-22 US disclosed
CN-111566116-A Novel metal complex, method for producing same, and method for producing gamma-lactam compound using same 基础科学研究院 2020-08-21 CN disclosed
WO-2019135600-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME 기초과학연구원 2019-07-11 WO 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 (4 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-20220168717-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME COASY, NOTUM, MRPL21 LMNA 4193/4885ALDH1A1 2634/4885POLB 1168/4885
US-11344872-B2 Metal complex, method for producing same, and method for producing gamma-lactam compound using same COASY, NOTUM, MRPL21 LMNA 4102/4885ALDH1A1 2316/4885POLB 1090/4885
US-11998901-B2 Metal complex, method for producing same, and method for producing gamma-lactam compound using same COASY, NOTUM, MRPL21 LMNA 4102/4885ALDH1A1 2316/4885POLB 1090/4885
US-20200330969-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME COASY, NOTUM, MRPL21 LMNA 4193/4885ALDH1A1 2634/4885POLB 1168/4885

“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.