SCHEMBL10137608

SCHEMBL10137608

O=C1OC(=O)[C@H]2CC=CCC12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.38
PGGT1B P53609 2/20 0.38
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.35
TP53 P04637 3/20 0.35
TSHR P16473 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 4/20 0.35
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
PPM1B O75688 1/20 0.35
PPP1CC P36873 1/20 0.35
TFPI2 P48307 1/20 0.35

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
SCHEMBL10738419 1.00 FNTA (0.38) FNTAPGGT1BALDH1A1LMNATP53
SCHEMBL169099 1.00 FNTA (0.38) FNTAPGGT1BALDH1A1LMNATP53
SCHEMBL13551917 1.00 FNTA (0.38) FNTAPGGT1BALDH1A1LMNATP53
SCHEMBL169100 1.00 FNTA (0.38) FNTAPGGT1BALDH1A1LMNATP53
Lithium SCHEMBL38661796 0.97 FNTA (0.37) FNTAPGGT1BALDH1A1LMNATP53
Barium SCHEMBL38662208 0.97 FNTA (0.37) FNTAPGGT1BALDH1A1LMNATP53
Calcium SCHEMBL38660940 0.97 FNTA (0.37) FNTAPGGT1BALDH1A1LMNATP53
SCHEMBL38660735 0.97 FNTA (0.37) FNTAPGGT1BALDH1A1LMNATP53
SCHEMBL10791612 0.97 FNTA (0.37) FNTAPGGT1BALDH1A1LMNATP53
SCHEMBL38662382 0.97 FNTA (0.37) FNTAPGGT1BALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113929662-B Succinimide or maleimide compound and use thereof 中国医学科学院药物研究所 2023-01-06 CN disclosed
CN-113956236-B Phthalimide compound and application thereof 中国医学科学院药物研究所 2023-01-06 CN disclosed
WO-2014055340-A1 TRACEABLE POLYMERIC SCALE INHIBITORS AND METHODS OF USING SUCH SCALE INHIBITORS MEADWESTVACO CORPORATION (US) 2014-04-10 WO disclosed
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 US disclosed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC FNTA 501/4885PGGT1B 684/4885ALDH1A1 623/4885
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ FNTA 809/4885PGGT1B 2087/4885ALDH1A1 3160/4885

“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.