SCHEMBL70197

SCHEMBL70197

CC(C)c1ccc2c(c1)OOC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGS1 P23219 2/20 0.34
TRPA1 O75762 1/20 0.34
CACNA1C Q13936 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33
KIF11 P52732 1/20 0.33
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
RNASEH1 O60930 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
PTGS2 P35354 1/20 0.31
TYR P14679 1/20 0.31
CHRNB2 P17787 1/20 0.30

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
SCHEMBL9738388 0.85 LMNA (0.35) LMNAHPGDGFERHSD17B10PTGS1
SCHEMBL71411 0.81 OGA (0.35) LMNAHPGDGFERHSD17B10PTGS1
SCHEMBL70621 0.78 MEN1 (0.37) LMNAHPGDGFERHSD17B10PTGS1
SCHEMBL9886765 0.78 LMNA (0.39) LMNAHPGDGFERHSD17B10PTGS1
SCHEMBL11159660 0.77 PTGS1 (0.34) PTGS1PTGS2
SCHEMBL5487522 0.74 PDE4D (0.39) CACNA1CALDH1A1LTB4R
SCHEMBL987089 0.74
SCHEMBL6741532 0.74 LMNA (0.40) LMNAHSD17B10PTGS1NPSR1PTGS2
SCHEMBL90928 0.74 MMP12 (0.34) HSD17B10ALDH1A1GAA
SCHEMBL23612452 0.72 HPGD (0.38) LMNAHPGDGFERHSD17B10PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190321343-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2019-10-24 US disclosed
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 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 (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-20190321343-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 LMNA 163/4885HPGD 298/4885GFER 3268/4885
US-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS LMNA 3118/4885HPGD 3586/4885GFER 3767/4885
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R LMNA 3493/4885HPGD 3049/4885GFER 3406/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R LMNA 3493/4885HPGD 3049/4885GFER 3406/4885

“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.