SCHEMBL5534049

SCHEMBL5534049

COc1ccc2cc(C(C)C(C)=O)ccc2c1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.81
AKR1C3 P42330 3/20 0.81
AKR1C2 P52895 3/20 0.81
PTGS1 P23219 2/20 0.81
TSHR P16473 2/20 0.81
CDC42 P60953 1/20 0.81
RAC1 P63000 1/20 0.81
CYP1A2 P05177 1/20 0.81
SLC22A6 Q4U2R8 1/20 0.81
LMNA P02545 1/20 0.71
MAPT P10636 1/20 0.71
CYP2C9 P11712 1/20 0.71
TDP1 Q9NUW8 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
ABCB11 O95342 1/20 0.58
ALOX5 P09917 2/20 0.57
RIOK2 Q9BVS4 1/20 0.57
POLB P06746 1/20 0.57

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
SCHEMBL15116646 1.00 PTGS2 (0.81) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL12090593 1.00 PTGS2 (0.81) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL20887114 1.00 PTGS2 (0.81) PTGS2AKR1C3AKR1C2PTGS1TSHR
Naproxen SCHEMBL2345440 0.90 AKR1C3 (0.94) PTGS2AKR1C3AKR1C2PTGS1TSHR
Naproxen SCHEMBL10029028 0.90 AKR1C3 (1.00) PTGS2AKR1C3AKR1C2PTGS1TSHR
Naproxen SCHEMBL215236 0.90 AKR1C3 (1.00) PTGS2AKR1C3AKR1C2PTGS1TSHR
Naproxen SCHEMBL3046 0.90 AKR1C3 (1.00) PTGS2AKR1C3AKR1C2PTGS1TSHR
Naproxen SCHEMBL42434 0.90 AKR1C3 (1.00) PTGS2AKR1C3AKR1C2PTGS1TSHR
Naproxen SCHEMBL616149 0.90 AKR1C3 (1.00) PTGS2AKR1C3AKR1C2PTGS1TSHR
Naproxen SCHEMBL28834409 0.90 AKR1C3 (1.00) PTGS2AKR1C3AKR1C2PTGS1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312957-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
WO-2021068884-A1 POLYPEPTIDE DERIVATIVE, NANOFIBER AND APPLICATION THEREOF 南开大学 2021-04-15 WO disclosed
WO-2021032088-A1 METHOD FOR PREPARING L-ERYTHROBIOPTERIN COMPOUND 上海众强药业有限公司 2021-02-25 WO disclosed
US-20200353094-A1 PHOSPHOALKYL RIBOSE POLYMERS COMPRISING BIOLOGICALLY ACTIVE COMPOUNDS Sony Group Corporation (JP) 2020-11-12 US disclosed
US-20190345498-A1 MODIFIED iRNA AGENTS BANK OF AMERICA, N.A. 2019-11-14 US disclosed
WO-2019071153-A1 PROGRAMMABLE DENDRITIC DRUGS SONY CORPORATION (JP) 2019-04-11 WO disclosed
US-10007042-B2 Composition, light reflecting film, luminance-improving film, backlight unit, and liquid crystal display device FUJIFILM CORPORATION (JP) 2018-06-26 US disclosed
US-20180162784-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2018-06-14 US disclosed
EP-2694079-B1 POLYMERS AND METHODS FOR THE TREATMENT OF PAIN UNIV RUTGERS (US) 2018-01-17 EP disclosed
US-20170010398-A1 COMPOSITION, LIGHT REFLECTING FILM, LUMINANCE-IMPROVING FILM, BACKLIGHT UNIT, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2017-01-12 US disclosed
US-7932264-B2 Sinomenine derivatives and preparation and uses thereof NATUREMED GROUP CORPORATION (US) 2011-04-26 US disclosed
WO-2009124371-A9 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S. A. (BR) 2010-12-02 WO disclosed
US-7745608-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2010-06-29 US disclosed
US-7745608-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2010-06-29 US disclosed
WO-2009124371-A2 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S. A. (BR) 2009-10-15 WO disclosed
US-20090093510-A1 Use of Nitrooxyderivatives of Drug for the Treatment of Muscular Dystrophies NICOX SA (FR) 2009-04-09 US disclosed
US-20080318966-A1 Sinomenine Derivatives and Preparation and Uses Thereof NIMBUS INNOWORKS LIMITED (CN) 2008-12-25 US disclosed
US-20080318966-A1 Sinomenine Derivatives and Preparation and Uses Thereof NIMBUS INNOWORKS LIMITED (CN) 2008-12-25 US disclosed
WO-2007088123-A2 USE OF NITROOXYDERIVATIVE OF DRUG FOR THE TREATMENT OF MUSCULAR DYSTROPHIES NICOX S.A. (FR) 2007-08-09 WO disclosed
US-4420639-A Aromatic compounds BEECHAM GROUP LIMITED (GB) 1983-12-13 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 (6 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-20200353094-A1 PHOSPHOALKYL RIBOSE POLYMERS COMPRISING BIOLOGICALLY ACTIVE COMPOUNDS PARP1, PARP11, PHOSPHO1 PTGS2 4298/4885AKR1C3 1892/4885AKR1C2 2704/4885
US-20080318966-A1 Sinomenine Derivatives and Preparation and Uses Thereof OPRM1, SIN3A, MIF PTGS2 82/4885AKR1C3 1361/4885AKR1C2 2243/4885
US-20190345498-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 PTGS2 4265/4885AKR1C3 2546/4885AKR1C2 2397/4885
US-20180162784-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS PTGS2 6/4885AKR1C3 568/4885AKR1C2 1264/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 PTGS2 4265/4885AKR1C3 2546/4885AKR1C2 2397/4885
US-20090093510-A1 Use of Nitrooxyderivatives of Drug for the Treatment of Muscular Dystrophies TNNC1, CPT1B, SMN1; SMN2 PTGS2 440/4885AKR1C3 948/4885AKR1C2 796/4885

“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.