SCHEMBL853578

SCHEMBL853578

CCOC(=O)CCCOc1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.56
CYSLTR1 Q9Y271 3/20 0.56
BRD4 O60885 1/20 0.53
PDK2 Q15119 2/20 0.53
FAAH O00519 1/20 0.53
NPC1 O15118 1/20 0.52
L3MBTL1 Q9Y468 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
P2RY12 Q9H244 1/20 0.47
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
MMP13 P45452 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL10054169 0.85 L3MBTL1 (0.62) CYSLTR2CYSLTR1BRD4FAAHNPC1
SCHEMBL6328915 0.85 MRGPRX4 (0.52) NPC1ALDH1A1PDE3BPDE3AP2RY12
SCHEMBL29198000 0.85 BRD4 (0.51) CYSLTR2CYSLTR1BRD4PDK2FAAH
SCHEMBL12698684 0.84 ALDH1A1 (0.67) CYSLTR2CYSLTR1BRD4PDK2FAAH
SCHEMBL8955658 0.84 CYSLTR2 (0.63) CYSLTR2CYSLTR1BRD4PDK2FAAH
SCHEMBL3173429 0.84 CYSLTR2 (0.60) CYSLTR2CYSLTR1BRD4PDK2FAAH
SCHEMBL913974 0.84 PPARA (0.59) NPC1ALDH1A1PPARGPPARA
SCHEMBL8279022 0.83 TSHR (0.57) CYSLTR2CYSLTR1BRD4PDK2FAAH
SCHEMBL2137203 0.83 MAPK1 (0.66) CYSLTR2CYSLTR1BRD4PDK2FAAH
SCHEMBL987722 0.83 CYSLTR2 (0.56) CYSLTR2CYSLTR1BRD4PDK2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867023-B2 Production method of polyhydroxyalkanoate from substituted fatty acid ester as raw material CANON KABUSHIKI KAISHA (JP) 2005-03-15 US claimed
US-20020081646-A1 Production method of polyhydroxyalkanoate form substituted fatty acid ester as raw material CANON KABUSHIKI KAISHA (JP) 2002-06-27 US claimed
EP-1201763-A2 Production method of polyhydroxyalkanoate from substituted fatty acid ester as raw material CANON KABUSHIKI KAISHA (JP) 2002-05-02 EP claimed
EP-2875001-B1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO LTD (CN) 2019-01-09 EP disclosed
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-12-06 US disclosed
US-9879033-B2 Modulators of 5-HT receptors and methods of use thereof AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-30 US disclosed
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-9434695-B2 Nitrogenous heterocyclic derivatives and their application in drugs SUNSHINE LAKE PHARMA CO., LTD (CN) 2016-09-06 US disclosed
CN-103570630-B Nitrogen heterocyclic derivative and the application in medicine thereof SUNSHINE LAKE PHARMA CO.,LTD. (CN) 2016-04-20 CN disclosed
CN-105481864-A Modulators of 5-HT receptors and methods of use thereof ABBOTT GMBH & CO KG ABBOTT LAB 2016-04-13 CN disclosed
US-20160096851-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2016-04-07 US disclosed
US-6867023-B2 Production method of polyhydroxyalkanoate from substituted fatty acid ester as raw material CANON KABUSHIKI KAISHA (JP) 2005-03-15 US disclosed
US-20040067576-A1 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2004-04-08 US disclosed
US-6649381-B1 Biosynthesis of high purity polylactones CANON KABUSHIKI KAISHA (JP) 2003-11-18 US disclosed
US-20030208029-A1 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2003-11-06 US disclosed
US-6586562-B2 Polylactone with units such as of 3-hydroxy-5-(4-fluorophenyl)valeric acid; biosynthesis of the polylactone by microorganism; Pseudomonas cichorii; P. putida; P. jessenii CANON KABUSHIKI KAISHA (JP) 2003-07-01 US disclosed
US-20020081646-A1 Production method of polyhydroxyalkanoate form substituted fatty acid ester as raw material CANON KABUSHIKI KAISHA (JP) 2002-06-27 US disclosed
EP-1201763-A2 Production method of polyhydroxyalkanoate from substituted fatty acid ester as raw material CANON KABUSHIKI KAISHA (JP) 2002-05-02 EP disclosed
US-20020022253-A1 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2002-02-21 US disclosed
EP-1113033-A2 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2001-07-04 EP 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 (3 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-20160096851-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C CYSLTR2 191/4885CYSLTR1 189/4885BRD4 2085/4885
US-20020081646-A1 Production method of polyhydroxyalkanoate form substituted fatty acid ester as raw material FASN, FFAR1, ACADM CYSLTR2 602/4885CYSLTR1 463/4885BRD4 4370/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C CYSLTR2 191/4885CYSLTR1 189/4885BRD4 2085/4885

“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.