SCHEMBL6445161

SCHEMBL6445161

CC(C)=CCC/C(C)=C/CC(/C=C(\C)CCC=C(C)C)OC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.47
FNTA P49354 3/20 0.47
FNTB P49356 3/20 0.47
MAPT P10636 2/20 0.43
PGR P06401 1/20 0.43
HTR1A P08908 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
PTGS1 P23219 1/20 0.43
PDE4A P27815 1/20 0.43
MAPK1 P28482 1/20 0.43
DRD3 P35462 1/20 0.43
SNCA P37840 1/20 0.43
PDE3A Q14432 1/20 0.43
ICMT O60725 1/20 0.42
GMNN O75496 1/20 0.42
TRPA1 O75762 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL8625198 0.95 TRPV1 (0.46) TRPV1FNTAFNTBMAPTPGR
SCHEMBL8618525 0.90 TRPV1 (0.50) TRPV1FNTAFNTBMAPTLMNA
SCHEMBL8624938 0.89 TRPV1 (0.43) TRPV1FNTAFNTBMAPTPGR
SCHEMBL8618289 0.89 TRPV1 (0.49) TRPV1FNTAFNTB
SCHEMBL8622892 0.88 TRPV1 (0.48) TRPV1FNTAFNTBLMNACYP1A2
SCHEMBL8646997 0.87 TRPV1 (0.46) TRPV1FNTAFNTBICMT
SCHEMBL8619713 0.87 ICMT (0.50) TRPV1FNTAFNTBMAPTPGR
SCHEMBL8622897 0.87 TRPV1 (0.49) TRPV1FNTAFNTBICMT
SCHEMBL8624967 0.86 ALDH1A1 (0.42) TRPV1FNTAFNTBMAPTLMNA
SCHEMBL8620646 0.86 TRPV1 (0.42) TRPV1FNTAFNTBMAPTPGR

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 22 patents — showing the first 20. 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
EP-1089731-A4 COMPOSITIONS AND METHODS FOR TREATING ELEVATED BLOOD CHOLESTEROL MERCK & CO INC (US) 2003-06-18 EP claimed
US-20020082244-A1 Compositions and methods for inhibiting bone resorption MERCK & CO., INC. 2002-06-27 US claimed
EP-1089731-A1 COMPOSITIONS AND METHODS FOR TREATING ELEVATED BLOOD CHOLESTEROL Merck & Co., Inc. (US) 2001-04-11 EP 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-1999066929-A1 COMPOSITIONS AND METHODS FOR TREATING ELEVATED BLOOD CHOLESTEROL MERCK & CO., INC. (US) 1999-12-29 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
EP-1089731-A4 COMPOSITIONS AND METHODS FOR TREATING ELEVATED BLOOD CHOLESTEROL MERCK & CO INC (US) 2003-06-18 EP 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
WO-1999067809-A9 COMPOSITIONS AND METHODS FOR INHIBITING BONE RESORPTION MERCK & CO INC (US) 2001-03-22 WO disclosed
WO-1999066929-A1 COMPOSITIONS AND METHODS FOR TREATING ELEVATED BLOOD CHOLESTEROL MERCK & CO., INC. (US) 1999-12-29 WO disclosed
WO-1999067809-A1 COMPOSITIONS AND METHODS FOR INHIBITING BONE RESORPTION MERCK & CO., INC. (US) 1999-12-29 WO disclosed
EP-0711749-B1 Process for producing geranylgeraniol KURARAY CO (JP) 1998-05-20 EP disclosed
US-5663461-A HYDROLYSIS OF ESTER KURARAY CO., LTD. (JP) 1997-09-02 US disclosed
EP-0711749-A1 Process for producing geranylgeraniol KURARAY CO., LTD. (JP) 1996-05-15 EP 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 TRPV1 1672/4885FNTA 129/4885FNTB 751/4885

“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.