SCHEMBL6771776

SCHEMBL6771776

CC(C)C(C(=O)O)c1cccc(OCCCCNc2ccccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 10/20 0.55
ITGA5 P08648 6/20 0.55
ITGB3 P05106 14/20 0.53
ITGAV P06756 14/20 0.53
ITGB6 P18564 3/20 0.53
ITGB5 P18084 3/20 0.53
MDM4 O15151 1/20 0.46
MDM2 Q00987 1/20 0.46
HTR7 P34969 1/20 0.44

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
SCHEMBL6768532 0.97 ITGB3 (0.56) ITGB1ITGA5ITGB3ITGAVITGB6
SCHEMBL7029988 0.78 ITGB1 (0.55) ITGB1ITGA5ITGB3ITGAVITGB6
SCHEMBL6771781 0.78 ITGB3 (0.74) ITGB1ITGA5ITGB3ITGAVITGB6
SCHEMBL6800069 0.76 ITGB1 (0.58) ITGB1ITGA5ITGB3ITGAVITGB6
SCHEMBL6773294 0.76 ITGB3 (0.52) ITGB1ITGA5ITGB3ITGAVITGB6
SCHEMBL7512204 0.75 ITGB3 (0.55) ITGB1ITGA5ITGB3ITGAVITGB6
SCHEMBL6771544 0.75 ITGB1 (0.51) ITGB1ITGA5ITGB3ITGAVITGB6
SCHEMBL6768533 0.75 ITGB3 (0.79) ITGB1ITGA5ITGB3ITGAVITGB6
SCHEMBL6768600 0.74 HTT (0.50) ITGB1ITGA5ITGB3ITGAVITGB6
SCHEMBL7030784 0.74 ITGB3 (0.52) ITGB1ITGA5ITGB3ITGAVITGB6

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 ITGB1 3/4885ITGA5 1/4885ITGB3 5/4885

“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.