SCHEMBL5025489

SCHEMBL5025489

COc1cc2c(cc1OC)N(CC(=O)O)C(=O)CCC2CC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 7/20 0.38
MTNR1A P48039 5/20 0.38
NQO2 P16083 2/20 0.38
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
PPARD Q03181 2/20 0.34
PPARA Q07869 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CCKBR P32239 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KLK7 P49862 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
SCHEMBL5026398 0.83 PTGDR2 (0.39) ITGB3ITGAVCCKBR
SCHEMBL5025707 0.82 ITGB3 (0.42) ITGB3ITGAVCCKBRMEN1KMT2A
SCHEMBL5026289 0.82 ITGB3 (0.42) ITGB3ITGAVCCKBRMEN1KMT2A
SCHEMBL5023976 0.82 ITGB3 (0.42) ITGB3ITGAVCCKBRMEN1KMT2A
SCHEMBL5023977 0.76 MEN1 (0.34) ALDH1A1CCKBRMEN1KMT2A
SCHEMBL6442144 0.73 MTNR1A (0.37) MTNR1BMTNR1ANQO2PPARDPPARA
SCHEMBL9466937 0.67 NQO2 (0.61) MTNR1BMTNR1ANQO2PPARDPPARA
SCHEMBL5029834 0.65 ITGB3 (0.50) ITGB3ITGAVALDH1A1MEN1KMT2A
SCHEMBL5030092 0.64 MEN1 (0.45) ALDH1A1CCKBRMEN1KMT2A
SCHEMBL21538693 0.63 NQO2 (0.56) MTNR1BMTNR1ANQO2PPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 US disclosed
EP-1286673-B1 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2005-05-25 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 (1 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-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B MTNR1B 1638/4885MTNR1A 1769/4885NQO2 3056/4885

“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.