SCHEMBL945328

SCHEMBL945328

O=Cc1ccc(OCC(O)CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MAPT P10636 3/20 0.53
AR P10275 1/20 0.49
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 1/20 0.44
ALDH1A3 P47895 1/20 0.43
CYP2A6 P11509 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
KMT2A Q03164 1/20 0.42
APP P05067 2/20 0.42
FGFR1 P11362 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL10694902 0.91 ALDH1A1 (0.62) ALDH1A1MAPTLMNAPOLBNPSR1
SCHEMBL19392615 0.87 ALDH1A1 (0.51) ALDH1A1MAPTARLMNASMN1; SMN2
SCHEMBL946390 0.85 ALDH1A1 (0.45) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL6228324 0.84 AR (0.61) ALDH1A1MAPTARTSHRMAPK1
SCHEMBL10552506 0.84 ALDH1A1 (0.51) ALDH1A1MAPTARMAPK1LMNA
SCHEMBL7155980 0.84 MAPT (0.54) ALDH1A1MAPTARTSHRMAPK1
SCHEMBL10695082 0.83 ALDH1A1 (0.50) ALDH1A1MAPTLMNAPOLBNPSR1
SCHEMBL12394920 0.82 ALDH1A1 (0.45) ALDH1A1MAPTARLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL11270317 0.81 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1LMNAPOLB
SCHEMBL1698976 0.81 ALDH1A1 (0.43) ALDH1A1MAPTTSHRLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9594063-B2 Retention index standards for liquid chromatography NATIONAL RESEARCH COUNCIL OF CANADA 2017-03-14 US disclosed
US-9000018-B2 Thiazolidin-4-one-derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2015-04-07 US disclosed
US-RE45174-E1 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-09-30 US disclosed
CN-102992983-B Up-regulator for expression of ATP (adenosine triphosphate)-binding cassette transporter A1 and application thereof Kunming baker norton pharmaceutical co ltd 2014-08-06 CN disclosed
US-20130310432-A1 NOVEL THIAZOLIDIN-4-ONE-DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-21 US disclosed
US-8524752-B2 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-03 US disclosed
CN-102992983-A Up-regulator for expression of ATP (adenosine triphosphate)-binding cassette transporter A1 and application thereof Kunming baker norton pharmaceutical co ltd 2013-03-27 CN disclosed
US-20120302612-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES VANDA PHARMACEUTICALS INC. 2012-11-29 US disclosed
US-RE43833-E1 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-11-27 US disclosed
US-RE43728-E1 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-09 US disclosed
US-20090275625-A1 NOVEL THIAZOLIDIN 4-ONE DERIVATIVES VANDA PHARMACEUTICALS INC. 2009-11-05 US disclosed
US-20080280962-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES ACTELION PHARMACEUTICALS, LTD. (CH) 2008-11-13 US disclosed
US-7435828-B2 immunosuppressive agents; low dosages; 5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-2-([Z]-isopropylimino)-3-o-tolyl-thiazolidin-4-one ACTELION PHARMACEUTICALS LTD. (CH) 2008-10-14 US disclosed
US-20080146629-A1 5-Benzylidene-2-imino- or hydrazonothiazolidin-4-one derivatives, e.g., 5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-2-([Z]-isopropylimino)-3-phenyl-thiazolidin-4-one and 2-(dimethyl-hydrazono)-5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-3-phenyl-thiazolidin-4-one; immunosuppressant agents ACTELION PHARMACEUTICALS, LTD. (CH) 2008-06-19 US disclosed
US-20070082933-A1 Novel thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS, LTD. 2007-04-12 US disclosed
EP-1689726-A1 5-(BENZ- (Z) -YLIDENE) -THIAZOLIDIN-4-ONE DERIVATIVES AS IMMUNOSUPPRESSANT AGENTS Actelion Pharmaceuticals Ltd. (CH) 2006-08-16 EP disclosed
CN-1727321-A Multifunctional ketone compound used as photoinitiator and preparation method thereof HUATAI CHEMICAL CO LTD CHANGZH (CN) 2006-02-01 CN disclosed
WO-2005054215-A1 5-(BENZ- (Z) -YLIDENE) -THIAZOLIDIN-4-ONE DERIVATIVES AS IMMUNOSUPPRESSANT AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2005-06-16 WO disclosed
US-5395910-A Photostable polymers AKZO NOBEL N.V. (NL) 1995-03-07 US disclosed
EP-0550105-A2 Liquid-crystalline polyurethanes, compositions of said liquid-crystalline polyurethanes, and a device for optical data storage comprising a liquid-crystalline polyurethane Akzo Nobel N.V. (NL) 1993-07-07 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 (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-20130310432-A1 NOVEL THIAZOLIDIN-4-ONE-DERIVATIVES TLR4, IRF3, IL4 ALDH1A1 783/4885MAPT 2746/4885AR 2260/4885
US-20070082933-A1 Novel thiazolidin-4-one derivatives TLR4, IL4, IRF3 ALDH1A1 671/4885MAPT 2981/4885AR 2316/4885
US-20090275625-A1 NOVEL THIAZOLIDIN 4-ONE DERIVATIVES TLR4, IRF3, TLR1 ALDH1A1 835/4885MAPT 2991/4885AR 2436/4885
US-20080146629-A1 5-Benzylidene-2-imino- or hydrazonothiazolidin-4-one derivatives, e.g., 5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-2-([Z]-isopropylimino)-3-phenyl-thiazolidin-4-one and 2-(dimethyl-hydrazono)-5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-3-phenyl-thiazolidin-4-one; immunosuppressant agents ICOS, IL2, IKZF3 ALDH1A1 755/4885MAPT 3874/4885AR 2657/4885
US-20120302612-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES TLR4, IL4, IRF3 ALDH1A1 671/4885MAPT 2981/4885AR 2316/4885
US-20080280962-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES TLR4, IL4, IRF3 ALDH1A1 671/4885MAPT 2981/4885AR 2316/4885

“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.