SCHEMBL4944019

SCHEMBL4944019

CCCCCCCC#Cc1ccccc1CCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.60
CYSLTR2 Q9NS75 2/20 0.60
CYSLTR1 Q9Y271 2/20 0.60
FFAR4 Q5NUL3 1/20 0.60
TDP1 Q9NUW8 2/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
APEX1 P27695 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MMP2 P08253 1/20 0.52
MMP12 P39900 1/20 0.52
PTPN7 P35236 4/20 0.50
HMGCR P04035 2/20 0.50

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
SCHEMBL10740872 1.00 FFAR1 (0.60) FFAR1CYSLTR2CYSLTR1FFAR4TDP1
SCHEMBL11109365 0.86 CYP3A4 (0.64) FFAR1CYSLTR2CYSLTR1FFAR4TDP1
SCHEMBL10795247 0.86 CYSLTR2 (0.65) FFAR1CYSLTR2CYSLTR1FFAR4TDP1
SCHEMBL10745835 0.86 CYP3A4 (0.52) FFAR1CYSLTR2CYSLTR1FFAR4TDP1
SCHEMBL10753710 0.81 CYP3A4 (0.55) FFAR1CYSLTR2CYSLTR1FFAR4TDP1
SCHEMBL10799919 0.81 CYP3A4 (0.48) FFAR1CYSLTR2CYSLTR1FFAR4TDP1
SCHEMBL21149881 0.80 CYP3A4 (0.54) CYSLTR2CYSLTR1TDP1KDM4ELMNA
SCHEMBL10744806 0.78 CYSLTR2 (0.57) FFAR1CYSLTR2CYSLTR1FFAR4TDP1
SCHEMBL10435206 0.78 CYSLTR2 (0.64) CYSLTR2CYSLTR1
SCHEMBL10743657 0.77 CYP3A4 (0.60) FFAR1CYSLTR2CYSLTR1FFAR4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666883-A1 Diagnostic and monitoring methods for bone loss F. Hoffmann-La Roche AG (CH) 2006-06-07 EP claimed
EP-1476153-A2 METHOD OF TREATING AND PREVENTING BONE LOSS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-17 EP claimed
WO-2003066048-A2 USE OF 15-LIPOXYGENASE INHIBITORS FOR TREATING AND PREVENTING BONE LOSS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 WO claimed
EP-1634618-B1 Method for identifying compounds that increase bone mineral density HOFFMANN LA ROCHE (CH) 2008-02-13 EP disclosed
EP-1666883-A1 Diagnostic and monitoring methods for bone loss F. Hoffmann-La Roche AG (CH) 2006-06-07 EP disclosed
US-20060079488-A1 Methods of treating and preventing bone loss ALLARD JOHN D 2006-04-13 US disclosed
EP-1634618-A1 Method for identifying compounds that increase bone mineral density F. Hoffmann-La Roche AG (CH) 2006-03-15 EP disclosed
EP-1476153-A2 METHOD OF TREATING AND PREVENTING BONE LOSS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-17 EP disclosed
US-20030175680-A1 Methods of treating and preventing bone loss NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-09-18 US disclosed
WO-2003066048-A2 USE OF 15-LIPOXYGENASE INHIBITORS FOR TREATING AND PREVENTING BONE LOSS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 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 (2 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-20060079488-A1 Methods of treating and preventing bone loss ALOX5, SOST, ALOX15B FFAR1 2009/4885CYSLTR2 80/4885CYSLTR1 94/4885
US-20030175680-A1 Methods of treating and preventing bone loss ALOX5, SOST, ALOX15B FFAR1 2009/4885CYSLTR2 80/4885CYSLTR1 94/4885

“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.