SCHEMBL6441633

SCHEMBL6441633

CC(O)C(=O)OC(C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
GRM1 Q13255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
PIK3CD O00329 1/20 0.30

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
SCHEMBL16659678 0.84 GRM1 (0.35) GRM1SMN1; SMN2TSHR
SCHEMBL18067492 0.81 SLC7A5 (0.42) GRM1
SCHEMBL20747670 0.81 SLC7A5 (0.42) GRM1
SCHEMBL18067510 0.78 GRIN2D (0.36) GRM1SMN1; SMN2
SCHEMBL20747658 0.78 GRIN2D (0.36) GRM1SMN1; SMN2
SCHEMBL607855 0.76 TSHR (0.35) GRM1TSHR
SCHEMBL17515452 0.75 GRM1 (0.37) GRM1TSHR
SCHEMBL6722116 0.74 TSHR (0.33) GRM1TSHR
SCHEMBL1585487 0.74 TSHR (0.52) GRM1SMN1; SMN2TSHR
SCHEMBL607856 0.74 TSHR (0.33) TP53GRM1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1088333-A4 COMPOSITIONS AND METHODS FOR INHIBITING BONE RESORPTION MERCK & CO INC (US) 2005-08-10 EP claimed
US-6699850-B2 ORAL FORMULATION OF A COMBINATION OF NITROGEN-CONTAINING BISPHOSPHONATE OR ITS SALT AND AN ISOPRENOID COMPOUND FOR INHIBITING BONE RESOPRTION IN A MAMMAL WHILE COUNTERACTING THE OCCURRENCE OF ADVERSE GASTROINTESTINAL EFFECT MERCK & CO., INC. 2004-03-02 US claimed
US-20020082244-A1 Compositions and methods for inhibiting bone resorption MERCK & CO., INC. 2002-06-27 US claimed
EP-1088333-A1 COMPOSITIONS AND METHODS FOR INHIBITING BONE RESORPTION Merck & Co., Inc. (US) 2001-04-04 EP claimed
WO-1999067809-A9 COMPOSITIONS AND METHODS FOR INHIBITING BONE RESORPTION MERCK & CO INC (US) 2001-03-22 WO claimed
WO-1999067809-A1 COMPOSITIONS AND METHODS FOR INHIBITING BONE RESORPTION MERCK & CO., INC. (US) 1999-12-29 WO claimed
EP-1088333-A4 COMPOSITIONS AND METHODS FOR INHIBITING BONE RESORPTION MERCK & CO INC (US) 2005-08-10 EP disclosed
US-6699850-B2 ORAL FORMULATION OF A COMBINATION OF NITROGEN-CONTAINING BISPHOSPHONATE OR ITS SALT AND AN ISOPRENOID COMPOUND FOR INHIBITING BONE RESOPRTION IN A MAMMAL WHILE COUNTERACTING THE OCCURRENCE OF ADVERSE GASTROINTESTINAL EFFECT MERCK & CO., INC. 2004-03-02 US disclosed
US-6432931-B1 NITROGEN CONTAINING BISPHOSPHONATE COMPOUND MERCK & CO., INC. 2002-08-13 US disclosed
US-20020082244-A1 Compositions and methods for inhibiting bone resorption MERCK & CO., INC. 2002-06-27 US disclosed
EP-1088333-A1 COMPOSITIONS AND METHODS FOR INHIBITING BONE RESORPTION Merck & Co., Inc. (US) 2001-04-04 EP disclosed
WO-1999067809-A9 COMPOSITIONS AND METHODS FOR INHIBITING BONE RESORPTION MERCK & CO INC (US) 2001-03-22 WO disclosed
WO-1999067809-A1 COMPOSITIONS AND METHODS FOR INHIBITING BONE RESORPTION MERCK & CO., INC. (US) 1999-12-29 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-20020082244-A1 Compositions and methods for inhibiting bone resorption SOST, PTEN, ALPI TP53 4851/4885GRM1 1453/4885SMN1; SMN2 4501/4885

“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.