SCHEMBL696146

SCHEMBL696146

CC(C)(C)c1cccc(OCCC2OCCCO2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.47
PPARG P37231 2/20 0.47
PPARD Q03181 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
SOD1 P00441 1/20 0.44
GRM2 Q14416 1/20 0.41
ALDH2 P05091 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
ACACB O00763 2/20 0.40
ACACA Q13085 1/20 0.40
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL11937220 0.94 FFAR1 (0.49) FFAR1PPARGPPARDL3MBTL1LMNA
SCHEMBL13645796 0.82 L3MBTL1 (0.49) FFAR1PPARGPPARDL3MBTL1POLB
SCHEMBL11937210 0.80 GRM2 (0.50) FFAR1PPARGPPARDL3MBTL1LMNA
SCHEMBL10212065 0.79 NFE2L2 (0.51) FFAR1PPARGPPARDL3MBTL1LMNA
SCHEMBL18320646 0.78 ALDH2 (0.45) ALDH2MAOAMAOBACACBACACA
SCHEMBL8468617 0.77 PSMB1 (0.44) PPARGPOLBALDH2MAOAMAOB
SCHEMBL11937214 0.77 RAB9A (0.49) PPARGPOLBMAPTSMN1; SMN2HRH3
SCHEMBL18320474 0.77 ACACB (0.45) L3MBTL1ALDH2MAOAMAOBACACB
SCHEMBL13439815 0.76 GRM2 (0.52) PPARGLMNASOD1GRM2MAPT
SCHEMBL13165245 0.75 L3MBTL1 (0.56) FFAR1PPARGPPARDL3MBTL1LMNA

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964642-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-11-15 EP disclosed
EP-2964642-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-11-15 EP disclosed
US-9663494-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-05-30 US disclosed
US-9663494-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-05-30 US disclosed
US-9663494-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-05-30 US disclosed
EP-2964642-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-20150376166-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2015-12-31 US disclosed
US-20150376166-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2015-12-31 US disclosed
US-20150376166-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2015-12-31 US disclosed
WO-2014135474-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed
US-20110152250-A1 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
WO-2010122038-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
WO-2010122038-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2010-10-28 US disclosed
US-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2010-10-28 US disclosed
US-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2010-10-28 US disclosed
US-7812019-B2 Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof ABBOTT LABORATORIES (US) 2010-10-12 US disclosed
EP-1844038-A2 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2007-10-17 EP disclosed
WO-2006065484-A2 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2006-06-22 WO disclosed
US-20060128689-A1 Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof ABBVIE INC. 2006-06-15 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 (4 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-20060128689-A1 Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof CACNA1E, CACNA1D, CACNA1S FFAR1 37/4885PPARG 1309/4885PPARD 1652/4885
US-20110152250-A1 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF CACNA1E, CACNA1D, CACNA1S FFAR1 37/4885PPARG 1309/4885PPARD 1652/4885
US-20150376166-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN FFAR1 2340/4885PPARG 4104/4885PPARD 4077/4885
US-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN FFAR1 3219/4885PPARG 2771/4885PPARD 3210/4885

“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.