SCHEMBL3967988

SCHEMBL3967988

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

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.67
AKR1C3 P42330 7/20 0.65
AKR1C2 P52895 7/20 0.65
PTGS1 P23219 4/20 0.65
PTGS2 P35354 3/20 0.65
TSHR P16473 2/20 0.65
CDC42 P60953 1/20 0.65
RAC1 P63000 1/20 0.65
CYP1A2 P05177 1/20 0.65
SLC22A6 Q4U2R8 1/20 0.65
AKR1C1 Q04828 1/20 0.60
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
FFAR1 O14842 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALOX5 P09917 2/20 0.54

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
SCHEMBL11154899 0.89 ABCB11 (0.69) ABCB11AKR1C3AKR1C2PTGS1PTGS2
SCHEMBL14349888 0.88 ABCB11 (0.67) ABCB11AKR1C3AKR1C2PTGS1PTGS2
SCHEMBL17761206 0.86 ABCB11 (0.65) ABCB11AKR1C3AKR1C2PTGS1PTGS2
SCHEMBL12836544 0.86 ABCB11 (0.65) ABCB11AKR1C3AKR1C2PTGS1PTGS2
SCHEMBL988779 0.86 ABCB11 (0.65) ABCB11AKR1C3AKR1C2PTGS1PTGS2
SCHEMBL15782118 0.86 AKR1C3 (0.62) ABCB11AKR1C3AKR1C2PTGS1PTGS2
SCHEMBL2207966 0.85 FFAR1 (0.56) TSHRFFAR1L3MBTL1
SCHEMBL9696473 0.84 AKR1C3 (0.60) ABCB11AKR1C3AKR1C2PTGS1PTGS2
SCHEMBL11155802 0.84 ABCB11 (0.61) ABCB11AKR1C3AKR1C2PTGS1PTGS2
SCHEMBL12191890 0.83 L3MBTL1 (0.57) LMNAFFAR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55055136-A None JP disclosed
US-20180028478-A1 ANTIVIRAL COMPOSITIONS DIRECTED AGAINST THE NUCLEOPROTEIN OF INFLUENZA VIRUSES INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE (FR) 2018-02-01 US disclosed
US-9783482-B2 Antiviral compositions directed against the influenza virus nucleoprotein INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE (FR) 2017-10-10 US disclosed
US-20140163107-A1 ANTIVIRAL COMPOSITIONS DIRECTED AGAINST THE INFLUENZA VIRUS NUCLEOPROTEIN INSTITUT NATIONAL DE LA RECHERCHE AGRONIMIQUE (FR) 2014-06-12 US disclosed
US-20100204278-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100204278-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
EP-2065047-A1 Methods of enhancing the therapeutic activity of NSAIDS and compositions of zwitterionic phospholipids useful therein Board of Regents, The University of Texas System (US) 2009-06-03 EP disclosed
EP-1214940-B1 Methods of enhancing the therapeutic activity of NSAIDs and compositions of zwitterionic phospholipids useful therein UNIV TEXAS (US) 2009-03-11 EP disclosed
WO-2008051403-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-05-02 WO disclosed
US-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-27 US disclosed
EP-1214940-A1 Methods of enhancing the therapeutic activity of NSAIDs and compositions of zwitterionic phospholipids useful therein THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-06-19 EP disclosed
EP-0805684-B1 METHODS OF ENHANCING THE THERAPEUTIC ACTIVITY OF NSAIDS AND COMPOSITIONS OF ZWITTERIONIC PHOSPHOLIPIDS USEFUL THEREIN UNIV TEXAS (US) 2002-06-12 EP disclosed
US-5955451-A NONSTEROID ANTIINFLAMMATORY AGENTS COMPLEXED WITH ZWITTERIONS OR PHOSPHOLIPIDS FOR NONIRRITATION OF GASTROINTESTINAL SYSTEMS AND ANTIPYRETICS THE UNIVERSITY OF TEXAS SYSTEM BOARD OF REGENTS 1999-09-21 US disclosed
WO-1998013073-A9 METHODS OF ENHANCING THE THERAPEUTIC ACTIVITY OF NSAIDs AND COMPOSITIONS OF ZWITTERIONIC PHOSPHOLIPIDS USEFUL THEREIN 1998-08-06 WO disclosed
US-5763422-A Methods of enhancing the therapeutic activity of NSAIDS and compositions of zwitterionic phospholipids useful therein BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-06-09 US disclosed
WO-1998013073-A1 METHODS OF ENHANCING THE THERAPEUTIC ACTIVITY OF NSAIDs AND COMPOSITIONS OF ZWITTERIONIC PHOSPHOLIPIDS USEFUL THEREIN BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-04-02 WO disclosed
US-5032588-A Non-steroidal antiinflammatory ABBOTT LABORATORIES (US) 1991-07-16 US disclosed
WO-1991008744-A1 THIAZOLE LIPOXYGENASE-INHIBITING COMPOUNDS DERIVED FROM NON-STEROIDAL ANTIINFLAMMATORY CARBOXYLIC ACIDS ABBOTT LABORATORIES (US) 1991-06-27 WO disclosed
US-4420639-A Aromatic compounds BEECHAM GROUP LIMITED (GB) 1983-12-13 US disclosed
JP-S5555136-A RECEMIZATION OF D- AND L-2-(6-METHOXY-2-NAPHTHYL)PROPIONIC ACID MIXTURE GRELAN PHARMACEUT CO LTD 1980-04-22 JP 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 (4 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-20180028478-A1 ANTIVIRAL COMPOSITIONS DIRECTED AGAINST THE NUCLEOPROTEIN OF INFLUENZA VIRUSES SNRPE, HNRNPA1, ADAR ABCB11 4629/4885AKR1C3 4143/4885AKR1C2 4411/4885
US-20100204278-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 ABCB11 198/4885AKR1C3 103/4885AKR1C2 105/4885
US-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment LDLR, APOB, FFAR1 ABCB11 525/4885AKR1C3 239/4885AKR1C2 297/4885
US-20140163107-A1 ANTIVIRAL COMPOSITIONS DIRECTED AGAINST THE INFLUENZA VIRUS NUCLEOPROTEIN SNRPE, HNRNPA1, SNRPF ABCB11 4779/4885AKR1C3 4421/4885AKR1C2 4590/4885

“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.