SCHEMBL71411

SCHEMBL71411

CC(C)c1ccc2c(c1)OOCC2

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OGA O60502 14/20 0.35
HPGD P15428 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 1/20 0.33
TRPA1 O75762 1/20 0.32
CACNA1C Q13936 1/20 0.32
KIF11 P52732 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL70197 0.81 LMNA (0.35) HPGDGFERHSD17B10LMNAPTGS1
SCHEMBL2607335 0.81 OGA (0.48) OGA
SCHEMBL9335273 0.76 OGA (0.33) OGA
SCHEMBL8577915 0.76 ALDH1A1 (0.34) HSD17B10ALDH1A1GAA
SCHEMBL2629598 0.75 OGA (0.46) OGAPTGS1PTGS2
SCHEMBL6725684 0.72 LMNA (0.41) LMNAHTTHIF1A
SCHEMBL1122453 0.72 MAPT (0.40) HPGDHSD17B10LMNAALDH1A1GAA
SCHEMBL7266291 0.71 KMT2A (0.38) PTGS1PTGS2
SCHEMBL8556313 0.71 CYP3A4 (0.33)
SCHEMBL801234 0.70 HDAC3 (0.55) OGAPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R OGA 3950/4885HPGD 3049/4885GFER 3406/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R OGA 3950/4885HPGD 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.