SCHEMBL453835

SCHEMBL453835

COCc1ccc2cc(CC(=O)O)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.70
AKR1C3 P42330 1/20 0.70
AKR1C2 P52895 1/20 0.70
GAA P10253 3/20 0.56
LMNA P02545 2/20 0.54
TP53 P04637 1/20 0.54
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
NFKB1 P19838 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
NR1H4 Q96RI1 1/20 0.48
AKR1B1 P15121 1/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
POLB P06746 2/20 0.47
RGS12 O14924 1/20 0.47
APEX1 P27695 1/20 0.47
THPO P40225 1/20 0.47

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
SCHEMBL756841 0.84 PTGS1 (0.71) PTGS1AKR1C3AKR1C2GAALMNA
SCHEMBL4080225 0.84 AKR1B1 (0.52) PTGS1AKR1C3AKR1C2GAALMNA
SCHEMBL3313524 0.83 CA2 (0.61) PTGS1AKR1C3AKR1C2GAALMNA
SCHEMBL4194127 0.82 LMNA (0.50) PTGS1AKR1C3AKR1C2LMNATP53
SCHEMBL29871774 0.82 LMNA (0.50) PTGS1AKR1C3AKR1C2LMNATP53
2-Naphthylacetic Acid SCHEMBL8987218 0.82 PTGS1 (0.70) PTGS1AKR1C3AKR1C2GAAALDH1A1
6-Methoxy-2-Naphthylacetic Acid SCHEMBL253759 0.82 AKR1C3 (1.00) PTGS1AKR1C3AKR1C2GAALMNA
6-Methoxy-2-Naphthylacetic Acid SCHEMBL9504315 0.81 AKR1C3 (0.97) PTGS1AKR1C3AKR1C2GAALMNA
6-Methoxy-2-Naphthylacetic Acid SCHEMBL503709 0.81 PTGS1 (0.97) PTGS1AKR1C3AKR1C2GAALMNA
6-Methoxy-2-Naphthylacetic Acid SCHEMBL9504307 0.81 AKR1C3 (0.97) PTGS1AKR1C3AKR1C2GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7193102-B2 Process for the racemate resolution of 3-aminopentanenitrile BAYER AKTIENGESELLSCHAFT (DE) 2007-03-20 US claimed
US-20040087811-A1 Process for the racemate resolution of 3-aminopentanenitrile LANXESS DEUTSCHLAND GMBH (DE) 2004-05-06 US claimed
WO-1997013519-A1 ESTERS OF CYCLOOXYGENASE INHIBITORS AND TERPENE DERIVATIVES AS PHARMACEUTICAL PRODUCTS RUSSINSKY LIMITED (IE) 1997-04-17 WO claimed
US-20220047505-A1 Controlled Absorption Water-Soluble Pharmaceutically Active Organic Compound Formulation for Once-Daily Administration STI PHARMA, LLC (US) 2022-02-17 US disclosed
US-11191719-B2 Controlled absorption water-soluble pharmaceutically active organic compound formulation for once-daily administration STI PHARMA, LLC (US) 2021-12-07 US disclosed
US-10463611-B2 Controlled absorption water-soluble pharmaceutically active organic compound formulation for once-daily administration STI PHARMA, LLC (US) 2019-11-05 US disclosed
WO-2019055942-A1 METHODS AND COMPOSITIONS TO INHIBIT TOLERANCE TO OPIOIDS SEN-JAM Pharmaceutical LLC (US) 2019-03-21 WO disclosed
US-20140154313-A1 Controlled Absorption Water-Soluble Pharmaceutically Active Organic Compound Formulation for Once-Daily Administration STI PHARMA, LLC (US) 2014-06-05 US disclosed
EP-2717860-A1 CONTROLLED ABSORPTION WATER-SOLUBLE PHARMACEUTICALLY ACTIVE ORGANIC COMPOUND FORMULATION FOR ONCE-DAILY ADMINISTRATION STI Pharma, LLC (US) 2014-04-16 EP disclosed
WO-2012170676-A1 CONTROLLED ABSORPTION WATER-SOLUBLE PHARMACEUTICALLY ACTIVE ORGANIC COMPOUND FORMULATION FOR ONCE-DAILY ADMINISTRATION STI PHARMA, LLC (US) 2012-12-13 WO disclosed
US-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-10-18 US disclosed
US-6242243-B1 PURE CULTURE; FOR PRODUCTION OF HYDROLASE ENZYME USEFUL IN EFFICIENT RESOLUTION OF (+)-6-METHOXY-ALPHA-METHYL NAPHTHALENE ACETIC ACID ALKYL ESTERS; PRODUCTION OF NAPROXEN COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2001-06-05 US disclosed
WO-2000061549-A2 PHARMACEUTICAL COMPOUNDS NICOX S.A. (FR) 2000-10-19 WO disclosed
WO-2000013672-A1 NEW SOLID DOSE FORM OF NANOPARTICULATE NAPROXEN ELAN PHARMA INTERNATIONAL LTD (IE) 2000-03-16 WO disclosed
US-5637320-A Controlled absorption naproxen formulation for once-daily administration ELAN CORPORATION, PLC (IE) 1997-06-10 US disclosed
EP-0438249-B1 Controlled absorption naproxen formulation for once-daily administration ELAN CORP PLC (IE) 1995-08-09 EP disclosed
EP-0644940-A1 PROCESS FOR ENZYMATIC PREPARATION OF -i(S)-6-METHOXY-A-METHYL-2-MAPHTHALENEACETIC ACID SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1995-03-29 EP disclosed
EP-0438249-A1 Controlled absorption naproxen formulation for once-daily administration ELAN CORPORATION PLC (IE) 1991-07-24 EP disclosed
US-4672077-A Novel soluble salt having analgesic and anti-inflammatory activity, a process for the preparation thereof and pharmaceutical forms containing them ISTITUTO BIOCHIMICO PAVESE SPA (IT) 1987-06-09 US disclosed
EP-0007116-B1 METHOD FOR RESOLVING RACEMIC 6-METHOXY-ALPHA-METHYL-2-NAPHTHALENE ACETIC ACID INTO ITS ENANTIOMERS AND RESOLVING MEDIUM SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1983-09-07 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 (1 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-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients SLC5A6, PNLIP, IPMK PTGS1 1863/4885AKR1C3 3168/4885AKR1C2 3274/4885

“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.