SCHEMBL5193898

SCHEMBL5193898

COC(=O)c1[nH]c2cc(OC)ccc2c1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.64
ALDH1A1 P00352 5/20 0.64
MAPT P10636 5/20 0.64
GAA P10253 5/20 0.64
HPGD P15428 4/20 0.64
ALOX15 P16050 2/20 0.64
HSD17B10 Q99714 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
USP2 O75604 1/20 0.64
TUBB4A P04350 3/20 0.55
TUBB P07437 3/20 0.55
TUBA3C P0DPH7 3/20 0.55
TUBA1B P68363 3/20 0.55
TUBA4A P68366 3/20 0.55
TUBB4B P68371 3/20 0.55
TUBB3 Q13509 3/20 0.55
TUBB2A Q13885 3/20 0.55
TUBB8 Q3ZCM7 3/20 0.55
TUBA3E Q6PEY2 3/20 0.55
TUBA1A Q71U36 3/20 0.55

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
SCHEMBL5162859 0.84 PTGS2 (0.54) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL5161760 0.83 ALDH1A1 (0.60) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL7825662 0.81 PADI4 (0.57) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL14527592 0.80 GPR35 (0.58) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL9438067 0.79 KDM4E (0.53) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL5157162 0.79 MAPT (0.54) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL3659426 0.79 KDM4E (0.60) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL14527692 0.79 ALDH1A1 (0.56) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL20569774 0.78 NR4A2 (0.58) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL3036356 0.78 KDM4E (0.70) KDM4EALDH1A1MAPTGAAHPGD

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
EP-1277736-B1 NOVEL BICYCLIC COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2007-08-08 EP disclosed
US-7049445-B2 Bicyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-05-23 US disclosed
US-6861444-B2 Bicyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-01 US disclosed
US-20040127546-A1 for treating or preventing diabetes, obesity, hyperlipidemia, digestive diseases, depression or urinary disturbances; beta 3-agonist ASAHI KASEI PHARMA CORPORATION (JP) 2004-07-01 US disclosed
US-20030191174-A1 Eating disorders; antidiabetic agents; gastrointestinal disorders ASAHI KASEI PHARMA CORPORATION (JP) 2003-10-09 US disclosed
EP-1277736-A1 NOVEL BICYCLIC COMPOUNDS Asahi Kasei Kabushiki Kaisha (JP) 2003-01-22 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-20040127546-A1 for treating or preventing diabetes, obesity, hyperlipidemia, digestive diseases, depression or urinary disturbances; beta 3-agonist GPR119, ADRB3, DBH KDM4E 3207/4885ALDH1A1 1438/4885MAPT 4097/4885
US-20030191174-A1 Eating disorders; antidiabetic agents; gastrointestinal disorders GPR119, GIPR, SLC5A2 KDM4E 1397/4885ALDH1A1 1990/4885MAPT 4137/4885

“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.