SCHEMBL217246

SCHEMBL217246

CC(C)C(=O)OCOC(=O)OCOC(=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
SOAT1 P35610 1/20 0.32
ELANE P08246 1/20 0.31
TSHR P16473 2/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL681184 0.91 ELANE (0.34) ALDH1A1ELANETSHRPOLBMAPT
SCHEMBL15113692 0.91 ALDH1A1 (0.59) ALDH1A1SOAT1MAPT
SCHEMBL17928321 0.85 TSHR (0.39) TSHR
SCHEMBL8560408 0.83 TSHR (0.34) ALDH1A1ELANETSHRPOLBMAPT
SCHEMBL23125432 0.82
SCHEMBL7606317 0.81 ALDH1A1 (0.43) ALDH1A1TSHRMAPT
SCHEMBL217247 0.81 TSHR (0.33) ALDH1A1ELANETSHRMAPTNPC1
SCHEMBL23125439 0.80 CYP19A1 (0.34) ALDH1A1
SCHEMBL15113718 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL11631362 0.80 ELANE (0.32) ALDH1A1ELANETSHRPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268802-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-09-18 US disclosed
EP-2204374-B1 Nucleoside phosphonates and analogs thereof for the treatment of HPV-infections GILEAD SCIENCES INC (US) 2012-06-13 EP disclosed
US-8088754-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
EP-1716162-B1 PHOSPHONATES, MONOPHOSPHONAMIDATES, BISPHOSPHONAMIDATES FOR THE TREATMENT OF VIRAL DISEASES GILEAD SCIENCES INC (US) 2010-08-18 EP disclosed
EP-2204374-A1 Nucleoside phosphonates and analogs thereof for the treatment of HPV-infections GILEAD SCIENCES, INC. (US) 2010-07-07 EP disclosed
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-7553825-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2009-06-30 US disclosed
US-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-06-11 US disclosed
WO-2007002912-A2 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2007-01-04 WO disclosed
WO-2007002808-A1 ANTI-NONMELANOMA CARCINOMA COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2007-01-04 WO disclosed
EP-1716162-A1 PHOSPHONATES, MONOPHOSPHONAMIDATES, BISPHOSPHONAMIDATES FOR THE TREATMENT OF VIRAL DISEASES GILEAD SCIENCES, INC. (US) 2006-11-02 EP disclosed
US-20060046981-A1 Anti-nonmelanoma carcinoma compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. 2006-03-02 US disclosed
US-20060030545-A1 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. 2006-02-09 US disclosed
US-20050222090-A1 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. 2005-10-06 US disclosed
WO-2005066189-A1 PHOSPHONATES, MONOPHOSPHONAMIDATES, BISPHOSPHONAMIDATES FOR THE TREATMENT OF VIRAL DISEASES GILEAD SCIENCES, INC. (US) 2005-07-21 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 (5 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-20050222090-A1 Anti-proliferative compounds, compositions, and methods of use thereof CCNY, CCNO, CCNB3 ALDH1A1 3787/4885SOAT1 2526/4885ELANE 3530/4885
US-20060046981-A1 Anti-nonmelanoma carcinoma compounds, compositions, and methods of use thereof HCCS, RCOR3, MSRB3 ALDH1A1 3249/4885SOAT1 1062/4885ELANE 4031/4885
US-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 ALDH1A1 3836/4885SOAT1 2246/4885ELANE 3714/4885
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 ALDH1A1 3836/4885SOAT1 2246/4885ELANE 3714/4885
US-20060030545-A1 Anti-proliferative compounds, compositions, and methods of use thereof CCNY, CCNO, CCNB3 ALDH1A1 3062/4885SOAT1 2524/4885ELANE 3812/4885

“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.