SCHEMBL3364653

SCHEMBL3364653

CC(C)(C)Oc1cccc(CCl)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.40
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
TTR P02766 1/20 0.40
CMA1 P23946 1/20 0.39
TAAR1 Q96RJ0 3/20 0.38
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
TSHR P16473 1/20 0.38
KIF11 P52732 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL9621500 0.82 KDM4E (0.45) CETPPPARGPPARACMA1IDO1
SCHEMBL31634206 0.81 CETP (0.51) CETPCHRM2CHRM1CHRM3
SCHEMBL1434302 0.81 CETP (0.51) CETPCHRM2CHRM1CHRM3
SCHEMBL5749580 0.81 TSHR (0.44) CETPPPARGPPARATTRCMA1
SCHEMBL29827047 0.81 TSHR (0.44) CETPPPARGPPARATTRCMA1
SCHEMBL14667219 0.81 PPARA (0.43) CETPPPARGPPARACMA1TAAR1
SCHEMBL6411834 0.81 CETP (0.40) CETPPPARGPPARACMA1TAAR1
SCHEMBL8048535 0.81 CHRM2 (0.43) CETPPPARGPPARACMA1TAAR1
SCHEMBL2903721 0.81 MAOB (0.47) CETPPPARGPPARATAAR1IDO1
SCHEMBL21288215 0.79 IDO1 (0.44) CETPPPARGPPARACMA1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
CN-101074242-A Cells accumulation for sphosphonate analogs of HIV protease inhibitor compound and the same compound GILEAD SCIENCES INC (US) 2007-11-21 CN disclosed
CN-1313472-C Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds GILEAD SCIENCES INC (US) 2007-05-02 CN disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 US disclosed
CN-1649885-A Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds GILEAD SCIENCES INC (US) 2005-08-03 CN disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 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-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP CETP 2280/4885PPARG 4581/4885PPARA 3973/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 CETP 2347/4885PPARG 4598/4885PPARA 4050/4885

“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.