SCHEMBL453784

SCHEMBL453784

CC(C)CCCC(F)(F)C(=O)CP(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
BLM P54132 2/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
CES2 O00748 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
ANPEP P15144 3/20 0.31
LAP3 P28838 2/20 0.31

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
SCHEMBL7627856 0.95 CES2 (0.35) ALDH1A1TDP1CES2LPAR1LPAR3
SCHEMBL8630560 0.91 GRIN2D (0.33) TDP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8410344 0.86 ALDH1A1 (0.31) ALDH1A1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL10994878 0.84 MEN1 (0.34) ALDH1A1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL3001830 0.81 CES2 (0.44) MEN1KMT2ACES2LPAR1LPAR3
SCHEMBL8410340 0.81
SCHEMBL8414151 0.81 GRIN2D (0.31) TDP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL963978 0.80 ACACB (0.34) ALDH1A1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL7625718 0.79 CES2 (0.55) MEN1KMT2ACES2LPAR1LPAR3
SCHEMBL11383173 0.78 LPAR1 (0.36) MEN1KMT2ACES2LPAR1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928252-B2 Prostaglandin synthesis and intermediates for use therein ALPHORA RESEARCH INC. (CA) 2011-04-19 US claimed
US-20100056808-A1 PROSTAGLANDIN SYNTHESIS AND INTERMEDIATES FOR USE THEREIN ALPHORA RESEARCH INC. (CA) 2010-03-04 US claimed
US-20100056807-A1 PROSTAGLANDIN SYNTHESIS AND INTERMEDIATES FOR USE THEREIN ALPHORA RESEARCH INC. (CA) 2010-03-04 US claimed
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
US-8785663-B2 Polymorphic forms of Lubiprostone APOTEX PHARMACHEM INC. (CA) 2014-07-22 US disclosed
EP-2735566-A1 Method for preparing prostaglandin derivative R-Tech Ueno, Ltd. (JP) 2014-05-28 EP disclosed
US-20130338379-A1 PROSTAGLANDIN SYNTHESIS AND INTERMEDIATES FOR USE THEREIN ALPHORA RESEARCH INC. (CA) 2013-12-19 US disclosed
US-8513441-B2 Prostaglandin synthesis and intermediates for use therein ALPHORA RESEARCH INC. (CA) 2013-08-20 US disclosed
US-20130096325-A1 POLYMORPHIC FORMS OF LUBIPROSTONE APOTEX PHARMACHEM INC. (CA) 2013-04-18 US disclosed
US-20130072695-A1 PROSTAGLANDIN SYNTHESIS AND INTERMEDIATES FOR USE THEREIN ALPHORA RESEARCH INC. (CA) 2013-03-21 US disclosed
US-5107014-A Prostaglandin I analogue K.K. UENO SEIYAKU OYO KENKYUJO (JP) 1992-04-21 US disclosed
EP-0469782-A2 Treatment of cataract with prostacyclin compounds KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 1992-02-05 EP disclosed
EP-0455899-A1 Prostaglandin I analogue Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1991-11-13 EP disclosed
EP-0284180-A1 Prostaglandins E and anti ulcers containing same Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1988-09-28 EP disclosed
US-4256911-A TRIFLUOROMETHYL-CARBOXY ESTERS HOFFMANN-LA ROCHE INC. (US) 1981-03-17 US disclosed
US-4237276-A CARDIOVASCULAR AGENTS, INDUCTION OF LABOR, TERMINATION OF PREGNANCY HOFFMANN-LA ROCHE INC. (US) 1980-12-02 US disclosed
US-4211724-A ENANTIOMORPHS, INTERMEDIATE AMIDES WITH ASSYMETRIC CARBON ATOM HOFFMAN-LA ROCHE INC. (US) 1980-07-08 US disclosed
US-4187381-A CARDIOVASCULAR AGENTS; OXYTOCICS HOFFMANN-LA ROCHE INC. (US) 1980-02-05 US disclosed
US-4001300-A ANTIULCER, DECONGESTANT, LABOR INDUCER, WOUND HEALER THE UPJOHN COMPANY (US) 1977-01-04 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 (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-20130096325-A1 POLYMORPHIC FORMS OF LUBIPROSTONE APOB, OSBP2, LDLR ALDH1A1 3210/4885TDP1 2561/4885GRIN2D 4438/4885
US-20130072695-A1 PROSTAGLANDIN SYNTHESIS AND INTERMEDIATES FOR USE THEREIN ALOX5, PTGES, PTGIS ALDH1A1 914/4885TDP1 4742/4885GRIN2D 4145/4885
US-20130338379-A1 PROSTAGLANDIN SYNTHESIS AND INTERMEDIATES FOR USE THEREIN ALOX5, PTGES, PTGIS ALDH1A1 914/4885TDP1 4742/4885GRIN2D 4145/4885
US-20100056807-A1 PROSTAGLANDIN SYNTHESIS AND INTERMEDIATES FOR USE THEREIN ALOX5, PTGES, PTGIS ALDH1A1 914/4885TDP1 4742/4885GRIN2D 4145/4885
US-20100056808-A1 PROSTAGLANDIN SYNTHESIS AND INTERMEDIATES FOR USE THEREIN ALOX5, PTGES, ALOX15 ALDH1A1 1139/4885TDP1 4761/4885GRIN2D 4223/4885

“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.