SCHEMBL453783

SCHEMBL453783

CCCCC(F)(F)C(=O)CP(=O)(OC)OC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.41
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
FAAH O00519 9/20 0.36
CES1 P23141 6/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FDPS P14324 1/20 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
SCHEMBL7620336 0.93 CES2 (0.50) CES2LPAR1LPAR3FAAHCES1
SCHEMBL19770805 0.89 FDPS (0.32) CES2LPAR1LPAR3FAAHFDPS
SCHEMBL8114663 0.86 ARG1 (0.33) CES2
SCHEMBL11303168 0.85 LPAR1 (0.36) CES2LPAR1LPAR3FAAHCES1
SCHEMBL11298075 0.85 LPAR1 (0.36) CES2LPAR1LPAR3FAAHCES1
SCHEMBL11515807 0.85 CES2 (0.40) CES2LPAR1LPAR3FAAHCES1
SCHEMBL12396594 0.85 CES2 (0.40) CES2LPAR1LPAR3FAAHCES1
SCHEMBL10994874 0.85 LPAR1 (0.36) CES2LPAR1LPAR3FAAHCES1
SCHEMBL16613924 0.85 CES2 (0.40) CES2LPAR1LPAR3FAAHCES1
SCHEMBL8410340 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-216778775-U Novel preparation device of (2-oxo-3, 3-difluoro heptyl) dimethyl phosphonate 南京诺希生物科技有限公司 2022-06-21 CN claimed
US-7928252-B2 Prostaglandin synthesis and intermediates for use therein ALPHORA RESEARCH INC. (CA) 2011-04-19 US claimed
US-20100056807-A1 PROSTAGLANDIN SYNTHESIS AND INTERMEDIATES FOR USE THEREIN ALPHORA RESEARCH INC. (CA) 2010-03-04 US claimed
US-20100056808-A1 PROSTAGLANDIN SYNTHESIS AND INTERMEDIATES FOR USE THEREIN ALPHORA RESEARCH INC. (CA) 2010-03-04 US claimed
CN-115663287-B High-pressure-resistant flame-retardant sodium ion electrolyte, preparation method thereof and sodium ion battery 湖南法恩莱特新能源科技有限公司 2023-04-04 CN disclosed
CN-115663287-A High-pressure-resistant flame-retardant sodium ion electrolyte, preparation method thereof and sodium ion battery 湖南法恩莱特新能源科技有限公司 2023-01-31 CN disclosed
CN-216778775-U Novel preparation device of (2-oxo-3, 3-difluoro heptyl) dimethyl phosphonate 南京诺希生物科技有限公司 2022-06-21 CN disclosed
CN-216778775-U Novel preparation device of (2-oxo-3, 3-difluoro heptyl) dimethyl phosphonate 南京诺希生物科技有限公司 2022-06-21 CN disclosed
CN-216778775-U Novel preparation device of (2-oxo-3, 3-difluoro heptyl) dimethyl phosphonate 南京诺希生物科技有限公司 2022-06-21 CN disclosed
EP-1981867-B1 METHOD FOR PREPARING PROSTAGLANDIN DERIVATIVE R-TECH UENO LTD (JP) 2017-06-14 EP disclosed
US-9382272-B2 Methods of making lubiprostone and intermediates thereof APOTEX PHARMACHEM INC. (CA) 2016-07-05 US disclosed
CN-102101835-B Prostaglandin derivative and preparation method of prostaglandin derivative intermediate WUHAN QIRUI PHARMACEUTICAL CO LTD 2015-07-22 CN disclosed
US-3969379-A 13,14-Dihydro-16-fluoro prostaglandin A1 analogs THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3969380-A 16-Fluoro prostaglandin F2 analogs THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3969381-A 13,14-Dihydro-16-fluoro prostaglandin B1 analogs THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3969376-A 13,14-Dihydro-16-fluoro prostaglandin E1 analogs THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3969378-A 16-Fluoro prostaglandin A2 analogs THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3969377-A 16-Fluoro prostaglandin E1 analogs THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3962293-A 13,14-Dihydro-16-fluoro prostaglandin F1 THE UPJOHN COMPANY (US) 1976-06-08 US disclosed
US-3931279-A 5-Oxa prostaglandin F2.sub.α analogs THE UPJOHN COMPANY (US) 1976-01-06 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 (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-20100056807-A1 PROSTAGLANDIN SYNTHESIS AND INTERMEDIATES FOR USE THEREIN ALOX5, PTGES, PTGIS CES2 3592/4885LPAR1 63/4885LPAR3 125/4885
US-20100056808-A1 PROSTAGLANDIN SYNTHESIS AND INTERMEDIATES FOR USE THEREIN ALOX5, PTGES, ALOX15 CES2 3594/4885LPAR1 67/4885LPAR3 113/4885

“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.