SCHEMBL6798154

SCHEMBL6798154

CC(C)(C)OC(=O)CC(=O)CCCCCCc1ccc2c(n1)NCCC2

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.58
ITGB6 P18564 14/20 0.58
ITGB3 P05106 16/20 0.57
ITGB5 P18084 11/20 0.52
ITGB8 P26012 10/20 0.52

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
SCHEMBL6421229 0.84 ITGAV (0.65) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL6424829 0.84 ITGAV (0.65) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL5251099 0.83 ITGAV (0.66) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL3219507 0.83 ITGAV (0.64) ITGAVITGB6ITGB3
SCHEMBL3219843 0.82 ITGAV (0.65) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL6421610 0.81 ITGAV (0.63) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL22223353 0.80 ITGAV (0.60) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL16607379 0.80 ITGAV (0.60) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL23542430 0.80 ITGAV (0.61) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL6420878 0.79 ITGAV (0.65) ITGAVITGB6ITGB3ITGB5ITGB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6784190-B2 USEFUL FOR INHIBITING BONE RESORPTION, TREATING AND PREVENTING OSTEOPOROSIS, VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, TUMOR, ATHEROSCLEROSIS, INFLAMMATION, WOUND HEALING, VIRAL DISEASEDISEASE, TUMOR MERCK & CO., INC. 2004-08-31 US disclosed
US-20020010176-A1 Integrin receptor antagonists MERCK SHARP & DOHME CORP. 2002-01-24 US disclosed
US-6297249-B1 SUBSTITUTED 2-CARBOXYALKYLPYRIDINES MERCK & CO., INC. 2001-10-02 US disclosed
US-6048861-A OSTEOPOROSIS; BONE DISORDERS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATROY AGENTS; WOUND HEALING AGENTS MERCK & CO., INC. (US) 2000-04-11 US 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-20020010176-A1 Integrin receptor antagonists ITGAV, ITGB3, ADGRE5 ITGAV 1/4885ITGB6 9/4885ITGB3 2/4885

“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.