SCHEMBL6774096

SCHEMBL6774096

CCOC(=O)CC(Cc1cccc(OCCCNc2cccc[n+]2[O-])c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.41
ITGB3 P05106 3/20 0.41
ITGAV P06756 3/20 0.41
ITGB1 P05556 2/20 0.41
ITGB5 P18084 1/20 0.41
ITGB6 P18564 1/20 0.41
MAPK1 P28482 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
F10 P00742 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ITGA5 P08648 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL7524219 0.91 ITGB3 (0.52) LTA4HITGB3ITGAVITGB1ITGB5
SCHEMBL7524212 0.91 ITGB3 (0.52) LTA4HITGB3ITGAVITGB1ITGB5
SCHEMBL7260047 0.82 ITGB3 (0.54) LTA4HITGB3ITGAVITGB1ITGB5
SCHEMBL6775123 0.80 ALDH1A1 (0.46) ITGB3ITGAVL3MBTL1TDP1ALDH1A1
SCHEMBL6178764 0.79 ITGB3 (0.64) LTA4HITGB3ITGAVITGB1ITGB5
SCHEMBL6179701 0.79 ITGB3 (0.64) LTA4HITGB3ITGAVITGB1ITGB5
SCHEMBL6178122 0.79 ITGB3 (0.64) LTA4HITGB3ITGAVITGB1ITGB5
SCHEMBL6772453 0.77 MTNR1A (0.54) L3MBTL1F10KDM4E
SCHEMBL6804996 0.74 LTA4H (0.48) LTA4HL3MBTL1KDM4EGAAMEN1
SCHEMBL31555289 0.71 F2 (0.56) F10TSHRALDH1A1

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
US-6833366-B1 Dihydrostilbene alkanoic acid derivatives PHARMACIA CORPORATION 2004-12-21 US disclosed
US-6720315-B2 FOR INHIBITING BONE RESORPTION, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR METASTASIS, SOLID TUMOR GROWTH, ANGIOGENESIS, MACULAR DEGENERATION AND DIABETIC RETINOPATHY RETINOPATHY PHARMACIA CORPORATION 2004-04-13 US disclosed
EP-1289959-A1 DIHYDROSTILBENE ALKANOIC ACID DERIVATIVES USEFUL AS VITRONECTIN ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP disclosed
US-20020099209-A1 Dihydrostilbene alkanoic acid derivatives PHARMACIA CORPORATION 2002-07-25 US disclosed
WO-2001096310-A1 DIHYDROSTILBENE ALKANOIC ACID DERIVATIVES USEFUL AS VITRONECTIN ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 WO 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-20020099209-A1 Dihydrostilbene alkanoic acid derivatives ITGA5, ITGB5, ITGB1 LTA4H 505/4885ITGB3 5/4885ITGAV 12/4885

“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.