SCHEMBL164035

SCHEMBL164035

[O]c1c(C(=O)O)ccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.68
LDHA P00338 1/20 0.66
NR4A1 P22736 1/20 0.61
NR4A2 P43354 1/20 0.61
NR4A3 Q92570 1/20 0.61
CDC25B P30305 1/20 0.53
ALDH1A1 P00352 7/20 0.49
HPGD P15428 5/20 0.49
LMNA P02545 1/20 0.49
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
KDM4E B2RXH2 3/20 0.47
GLA P06280 2/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.46
SOS1 Q07889 1/20 0.46
HSD17B10 Q99714 3/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45

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
SCHEMBL160289 0.90 WDR5 (0.61) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL11109276 0.82 WDR5 (0.52) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL161027 0.82 WDR5 (0.52) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL7309416 0.82 ALDH1A1 (0.50) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL165467 0.82 WDR5 (0.50) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL895573 0.81 WDR5 (1.00) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL29721418 0.81 WDR5 (1.00) WDR5LDHANR4A1NR4A2NR4A3
Phenanthrene SCHEMBL29265471 0.80 NR4A1 (0.75) WDR5LDHANR4A1NR4A2NR4A3
Phenanthrene SCHEMBL31651179 0.80 NR4A1 (0.75) WDR5LDHANR4A1NR4A2NR4A3
Carboxynaphthol SCHEMBL25244 0.79 LDHA (1.00) WDR5LDHANR4A1NR4A2NR4A3

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10190009-B2 Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-01-29 US disclosed
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20160160065-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-09 US disclosed
EP-3015516-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL Nippon Kayaku Kabushiki Kaisha (JP) 2016-05-04 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 WO disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 US disclosed
EP-0530850-B1 Process for producing a modified oligosaccharide WAKO PURE CHEM IND LTD (JP) 1998-09-09 EP disclosed
US-5319078-A α-amylase assay using modified oligosaccharide and process for producing said modified oligosaccharide WAKO PURE CHEMICAL INDUSTRIES, INC. (JP) 1994-06-07 US disclosed
EP-0252525-B1 Alpha-amylase assay using modified oligosaccharide and process for producing said modified oligosaccharide WAKO PURE CHEM IND LTD (JP) 1993-11-10 EP disclosed
EP-0530850-A2 Process for producing a modified oligosaccharide WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-10 EP disclosed
US-5192666-A α-amylase assay using modified oligosaccharide and process for producing said modified oligosaccharide WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-09 US disclosed
EP-0252525-A2 Alpha-amylase assay using modified oligosaccharide and process for producing said modified oligosaccharide WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1988-01-13 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 (2 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 WDR5 3074/4885LDHA 168/4885NR4A1 4691/4885
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 WDR5 1298/4885LDHA 2149/4885NR4A1 1270/4885

“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.