SCHEMBL86164

SCHEMBL86164

CCOP(=O)(OCC)OC(C)C

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
CTSA P10619 1/20 0.42
ACHE P22303 1/20 0.42
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PPARD Q03181 2/20 0.36
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3819715 0.95 TSHR (0.60) TSHRCTSAACHETP53TDP1
SCHEMBL28848779 0.88 TSHR (0.52) TSHRCTSAACHETP53TDP1
SCHEMBL17470436 0.84 CYP3A4 (0.52) TSHR
SCHEMBL22844132 0.83 TSHR (0.46) TSHRCTSAACHETP53TDP1
SCHEMBL6899778 0.82 CYP3A4 (0.50) TSHR
SCHEMBL25991431 0.82 TSHR (0.41) TSHRCTSAACHETP53TDP1
SCHEMBL8104926 0.81 TSHR (0.44) TSHRCTSAACHETP53TDP1
SCHEMBL6895576 0.80 TSHR (0.55) TSHRACHETP53TDP1PPARD
SCHEMBL5908843 0.80 TSHR (0.55) TSHRTP53TDP1PPARDPOLB
SCHEMBL16668638 0.80 TSHR (0.55) TSHRCTSAACHETP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016799-A1 ANTI-INFLAMMATORY, ANTI-CANCER, AND ANTI-ANGIOGENIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF MAKING AND USING THEREOF MEDICON PHARMACEUTICALS, INC. 2024-01-18 US disclosed
US-11752146-B2 Anti-inflammatory, anti-cancer, and anti-angiogenic compounds, pharmaceutical compositions, and methods of making and using thereof MEDICON PHARMACEUTICALS, INC. (US) 2023-09-12 US disclosed
US-10927135-B2 Metal-free direct arylation of dialkyl phosphonates for the synthesis of mixed alkyl aryl phosphonates THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2021-02-23 US disclosed
US-10927135-B2 Metal-free direct arylation of dialkyl phosphonates for the synthesis of mixed alkyl aryl phosphonates THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2021-02-23 US disclosed
US-20200339598-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2020-10-29 US disclosed
US-20200255461-A1 METAL-FREE DIRECT ARYLATION OF DIALKYL PHOSPHONATES FOR THE SYNTHESIS OF MIXED ALKYL ARYL PHOSPHONATES THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2020-08-13 US disclosed
US-20200255461-A1 METAL-FREE DIRECT ARYLATION OF DIALKYL PHOSPHONATES FOR THE SYNTHESIS OF MIXED ALKYL ARYL PHOSPHONATES THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2020-08-13 US disclosed
US-20190152990-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2019-05-23 US disclosed
WO-2019028391-A1 METAL-FREE DIRECT ARYLATION OF DIALKYL PHOSPHONATES FOR THE SYNTHESIS OF MIXED ALKYL ARYL PHOSPHONATES THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2019-02-07 WO disclosed
US-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-09-21 US disclosed
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity SHIONOGI & CO., LTD. (JP) 2009-06-04 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2008-07-03 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-20070299275-A1 Method of decomposing organophosphorus compounds BROWN R S 2007-12-27 US disclosed
WO-2007037134-A9 INKJET RECORDING MEDIUM AND METHOD FOR MANUFACTURING THE SAME FUJIFILM CORP (JP) 2007-05-24 WO disclosed
US-7214836-B2 Method of decomposing organophosphorus compounds QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-05-08 US disclosed
EP-1613402-A2 METHOD OF DECOMPOSING ORGANOPHOSPHORUS COMPOUNDS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-01-11 EP disclosed
US-20040230082-A1 Method of decomposing organophosphorus compounds QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-11-18 US disclosed
WO-2004080543-A2 METHOD OF DECOMPOSING ORGANOPHOSPHORUS COMPOUNDS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-09-23 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 (12 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-20070299275-A1 Method of decomposing organophosphorus compounds ACHE, L3MBTL3, L3MBTL4 TSHR 2560/4885CTSA 2906/4885ACHE 1/4885
US-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity NR4A1, HAT1, NR4A2 TSHR 3028/4885CTSA 3409/4885ACHE 2605/4885
US-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L TSHR 4488/4885CTSA 4375/4885ACHE 1523/4885
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 TSHR 1134/4885CTSA 2466/4885ACHE 3689/4885
US-20040230082-A1 Method of decomposing organophosphorus compounds ACHE, L3MBTL3, L3MBTL4 TSHR 2560/4885CTSA 2906/4885ACHE 1/4885
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity CDK20, CYP4A22, CDK10 TSHR 3929/4885CTSA 4168/4885ACHE 2217/4885
US-20200255461-A1 METAL-FREE DIRECT ARYLATION OF DIALKYL PHOSPHONATES FOR THE SYNTHESIS OF MIXED ALKYL ARYL PHOSPHONATES SLC35B2, PPIP5K2, PPA1 TSHR 733/4885CTSA 3371/4885ACHE 1919/4885
US-20200339598-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 TSHR 2821/4885CTSA 3106/4885ACHE 3988/4885
US-10927135-B2 Metal-free direct arylation of dialkyl phosphonates for the synthesis of mixed alkyl aryl phosphonates SLC35B2, PPIP5K2, PPA1 TSHR 733/4885CTSA 3371/4885ACHE 1919/4885
US-11752146-B2 Anti-inflammatory, anti-cancer, and anti-angiogenic compounds, pharmaceutical compositions, and methods of making and using thereof VEGFA, HPGDS, ALOX5 TSHR 4882/4885CTSA 117/4885ACHE 402/4885
US-20240016799-A1 ANTI-INFLAMMATORY, ANTI-CANCER, AND ANTI-ANGIOGENIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF MAKING AND USING THEREOF VEGFA, HPGDS, ALOX5 TSHR 4882/4885CTSA 117/4885ACHE 402/4885
US-20190152990-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NR4A3, NCOA4 TSHR 2300/4885CTSA 2675/4885ACHE 3641/4885

“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.