SCHEMBL6950289

SCHEMBL6950289

CC(C)COC(=O)CNC=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL15157579 0.85 TSHR (0.45) TSHRPPARGNCOA2NCOA1NPSR1
SCHEMBL8185898 0.82 CYP19A1 (0.41) TSHRADH1BADH1CADH1APPARG
SCHEMBL8174510 0.81 ADH1B (0.38) TSHRADH1BADH1CADH1ATDP1
SCHEMBL19257405 0.79 SMN1; SMN2 (0.42) TSHRPPARGNCOA2NCOA1NPSR1
SCHEMBL295774 0.78
SCHEMBL3194735 0.78 TSHR (0.43) TSHRPPARGNCOA2NCOA1NPSR1
SCHEMBL7489413 0.77 EPHX2 (0.50) TSHRADH1BADH1CADH1AALDH1A1
SCHEMBL243431 0.77 TSHR (0.56) TSHRPPARGNCOA2NCOA1NPSR1
SCHEMBL125438 0.77 TSHR (0.42) TSHRPPARGNCOA2NCOA1NPSR1
SCHEMBL5735543 0.77 LMNA (0.39) TSHRADH1BADH1CADH1APPARG

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-11479579-B2 Therapeutic compounds and methods REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2022-10-25 US disclosed
US-20210277055-A1 THERAPEUTIC COMPOUNDS AND METHODS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2021-09-09 US disclosed
EP-0936218-B1 BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6387938-B1 Benzimidazole derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed
EP-0936218-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-08-18 EP disclosed
EP-0080119-B1 PROCESS FOR THE PREPARATION OF N-FORMYL-ALPHA-AMINO-ACID ESTERS BASF Aktiengesellschaft (DE) 1985-06-19 EP disclosed
EP-0080119-A1 Process for the preparation of N-formyl-alpha-amino-acid esters BASF Aktiengesellschaft (DE) 1983-06-01 EP 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-11479579-B2 Therapeutic compounds and methods SNCA, PARK7, PSEN2 TSHR 1993/4885ADH1B 333/4885ADH1C 1723/4885
US-20210277055-A1 THERAPEUTIC COMPOUNDS AND METHODS SNCA, PARK7, PSEN2 TSHR 1993/4885ADH1B 333/4885ADH1C 1723/4885

“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.