SCHEMBL920577

SCHEMBL920577

Cc1ccc(Oc2cc[c]cc2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
AR P10275 1/20 0.39
HTR1A P08908 2/20 0.38
HTR3A P46098 2/20 0.38
ACHE P22303 1/20 0.38
EGLN1 Q9GZT9 1/20 0.36
SLC6A4 P31645 3/20 0.36
LIPG Q9Y5X9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HTR2A P28223 2/20 0.35
KCNH2 Q12809 2/20 0.35

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
SCHEMBL28452075 0.86 SLC6A4 (0.45) GAAARHTR1AHTR3AACHE
SCHEMBL922844 0.85 TSHR (0.41) GAAARACHESLC6A4SMN1; SMN2
SCHEMBL446449 0.84 AR (0.47) GAAARHTR1AHTR3AACHE
SCHEMBL4229054 0.81 ALDH1A1 (0.42) L3MBTL1SMN1; SMN2
SCHEMBL2266321 0.81 PGR (0.39) ARSMN1; SMN2
SCHEMBL2262676 0.80 KDM4E (0.44) GAASLC6A4L3MBTL1SMN1; SMN2HTR2A
SCHEMBL2096609 0.80 HTR2A (0.35) ARSLC6A4L3MBTL1HTR2AKCNH2
SCHEMBL8484975 0.80 NTRK1 (0.48) GAAHTR1AHTR3ASMN1; SMN2
SCHEMBL921804 0.79 SLC6A4 (0.42) GAASLC6A4HTR2AKCNH2
SCHEMBL2750609 0.79 GAA (0.38) GAAARHTR1AHTR3AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP claimed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US claimed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 EP claimed
JP-2005536450-A 2005-12-02 JP claimed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP claimed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US claimed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 WO claimed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-8178540-B2 Pyrimidylmethyl-sulfonamide compounds BASF SE (DE) 2012-05-15 US disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 EP disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US disclosed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 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 (3 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 GAA 4165/4885AR 254/4885HTR1A 4141/4885
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 GAA 3969/4885AR 213/4885HTR1A 607/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 GAA 2649/4885AR 1048/4885HTR1A 3327/4885

“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.