SCHEMBL6779339

SCHEMBL6779339

O=C(O)CCc1ccc(OCCCCNc2ccccn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.66
ITGAV P06756 10/20 0.66
ITGB1 P05556 7/20 0.66
ITGB6 P18564 3/20 0.66
ITGB5 P18084 3/20 0.66
FFAR1 O14842 3/20 0.62
ITGA5 P08648 3/20 0.59
S1PR1 P21453 4/20 0.55
MDM4 O15151 1/20 0.55
MDM2 Q00987 1/20 0.55
S1PR3 Q99500 2/20 0.54
S1PR5 Q9H228 1/20 0.54
LTA4H P09960 1/20 0.53

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
SCHEMBL6773037 0.99 ITGB3 (0.65) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6771845 0.96 ITGB3 (0.71) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL18077406 0.84 ITGB1 (0.59) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL7264806 0.82 ITGB3 (0.94) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL24743258 0.81 HDAC3 (0.60) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6779332 0.81 ITGB3 (0.53) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL2037116 0.80 ITGB3 (0.70) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL4530820 0.80 FFAR1 (0.88) FFAR1S1PR1S1PR3S1PR5
SCHEMBL7260180 0.80 ITGB3 (0.57) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6773034 0.80 ITGB3 (0.52) ITGB3ITGAVITGB1ITGB6ITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833366-B1 Dihydrostilbene alkanoic acid derivatives PHARMACIA CORPORATION 2004-12-21 US claimed
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 claimed
EP-1289959-A1 DIHYDROSTILBENE ALKANOIC ACID DERIVATIVES USEFUL AS VITRONECTIN ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP claimed
US-20020099209-A1 Dihydrostilbene alkanoic acid derivatives PHARMACIA CORPORATION 2002-07-25 US claimed
WO-2001096310-A1 DIHYDROSTILBENE ALKANOIC ACID DERIVATIVES USEFUL AS VITRONECTIN ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 WO claimed
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
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 ITGB3 5/4885ITGAV 12/4885ITGB1 3/4885

“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.