SCHEMBL6442341

SCHEMBL6442341

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
SLC22A6 Q4U2R8 2/20 0.42
LMNA P02545 4/20 0.40
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36
AKR1B1 P15121 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.35
VCAM1 P19320 1/20 0.35
PPARG P37231 4/20 0.34
PPARD Q03181 4/20 0.34
PPARA Q07869 4/20 0.34
GPR84 Q9NQS5 3/20 0.34
HDAC11 Q96DB2 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
TLR2 O60603 1/20 0.34
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34
FABP4 P15090 1/20 0.34

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
SCHEMBL6442342 0.92 LMNA (0.45) TSHRLMNAALDH1A1CYP1A2
SCHEMBL6441150 0.88 EGLN1 (0.42) TSHRLMNACYP1A2VCAM1
SCHEMBL28342492 0.88 LMNA (0.50) TSHRLMNAALDH1A1CYP1A2MEN1
SCHEMBL6441153 0.83 LMNA (0.39) TSHRLMNA
SCHEMBL20051869 0.82 LMNA (0.55) TSHRLMNAALDH1A1CYP1A2MEN1
SCHEMBL10010461 0.81 TSHR (0.43) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL19500201 0.81 LMNA (0.40) TSHRLMNAALDH1A1
SCHEMBL756970 0.81 LMNA (0.63) TSHRLMNAALDH1A1CYP1A2MEN1
SCHEMBL10553643 0.80 TSHR (0.54) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL18620 0.79 LMNA (0.61) TSHRSLC22A6LMNANFKB1PMP22

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 TSHR 1887/4885SLC22A6 471/4885LMNA 3178/4885

“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.