SCHEMBL1129231

SCHEMBL1129231

O=C(c1ccc(Cl)cc1)c1ccccc1F

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.65
ALDH1A1 P00352 2/20 0.53
ALOX15 P16050 1/20 0.53
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
MGLL Q99685 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ABCC9 O60706 1/20 0.49
ABCC8 Q09428 1/20 0.49
KCNJ11 Q14654 1/20 0.49
KCNJ8 Q15842 1/20 0.49
GAA P10253 1/20 0.48
SRD5A2 P31213 1/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
KCNMA1 Q12791 1/20 0.46

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
SCHEMBL29779621 1.00 NR4A1 (0.65) NR4A1ALDH1A1ALOX15CES2CES1
SCHEMBL9421742 0.98 NR4A1 (0.62) NR4A1ALDH1A1ALOX15CES2CES1
SCHEMBL10759830 0.90 CES2 (0.62) NR4A1ALDH1A1ALOX15CES2CES1
SCHEMBL3444656 0.86 NR4A1 (0.84) NR4A1ALDH1A1ALOX15CES2CES1
SCHEMBL9421738 0.85 ALDH1A1 (0.64) NR4A1ALDH1A1ALOX15CES2CES1
SCHEMBL9495711 0.85 NR4A1 (0.70) NR4A1ALDH1A1CES2CES1SRD5A2
SCHEMBL29377967 0.84 CES2 (0.56) ALDH1A1ALOX15CES2CES1SMN1; SMN2
SCHEMBL896769 0.84 CES2 (0.56) ALDH1A1ALOX15CES2CES1SMN1; SMN2
SCHEMBL9507199 0.84 CDC25B (0.60) NR4A1ALDH1A1ALOX15CES2CES1
SCHEMBL11116591 0.84 ALB (0.55) NR4A1ALDH1A1MGLLSMN1; SMN2SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106167548-B High-performance polysulfone resin and its synthesis 佛山市珀力玛高新材料有限公司 2018-05-01 CN claimed
CN-103642029-A High-fluidity polyethersulfoneketone resin and industrial synthesis method thereof JIANGMEN YOUJU NEW MATERIALS CO LTD 2014-03-19 CN claimed
CN-103642031-A High-fluidity polyphenylenesulfoneketone resin and industrial production technology thereof JIANGMEN YOUJU NEW MATERIALS CO LTD 2014-03-19 CN claimed
CN-103626991-A High-liquidity poly(ether sulfone ketone) (PESK) resin and industrial production process thereof JIANGMEN YOUJU NEW MATERIALS CO LTD 2014-03-12 CN claimed
EP-3233799-B1 DOPAMINE D2 RECEPTOR LIGANDS BROAD INST INC (US) 2021-05-19 EP disclosed
US-10752588-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2020-08-25 US disclosed
US-20190345105-A9 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2019-11-14 US disclosed
US-20190023656-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2019-01-24 US disclosed
CN-104870519-B The manufacture method of ring type polyphenylene ether ether one compositions and wire polyphenylene ether ether ketone, the manufacture method of polyphenylene ether ether ketone 东丽株式会社 2017-11-24 CN disclosed
EP-3233799-A1 DOPAMINE D2 RECEPTOR LIGANDS The Broad Institute Inc. (US) 2017-10-25 EP disclosed
WO-2016100823-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2016-06-23 WO disclosed
CN-103642031-A High-fluidity polyphenylenesulfoneketone resin and industrial production technology thereof JIANGMEN YOUJU NEW MATERIALS CO LTD 2014-03-19 CN disclosed
WO-2009143051-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-19 US disclosed
CN-101250132-A Polyfluoro ortho-hydroxybenzamide derivatives and uses thereof UNIV ZHEJIANG TECHNOLOGY (CN) 2008-08-27 CN disclosed
EP-1630187-B1 Sulfonic group-containing polyarylene block copolymer, process for production thereof, solid polymer electrolyte and proton conductive membrane JSR CORP (JP) 2008-05-21 EP disclosed
US-7368068-B2 Sulfonic group-containing polyarylene block copolymer, process for production thereof, solid polymer electrolyte and proton conductive membrane JSR CORPORATION (JP) 2008-05-06 US disclosed
US-20060280991-A1 Membrane-electrode assembly for solid polymer electrolyte fuel cell HONDA MOTOR CO., LTD. 2006-12-14 US disclosed
US-20060043344-A1 Sulfonic group-containing polyarylene block copolymer, process for production thereof, solid polymer electrolyte and proton conductive membrane JSR CORPORATION (JP) 2006-03-02 US disclosed
EP-1630187-A1 Sulfonic group-containing polyarylene block copolymer, process for production thereof, solid polymer electrolyte and proton conductive membrane JSR Corporation (JP) 2006-03-01 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 (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-20190345105-A9 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 NR4A1 1089/4885ALDH1A1 1919/4885ALOX15 2824/4885
US-20190023656-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 NR4A1 1089/4885ALDH1A1 1919/4885ALOX15 2824/4885
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 NR4A1 312/4885ALDH1A1 292/4885ALOX15 4597/4885
US-10752588-B2 Dopamine D2 receptor ligands DRD2, SLC6A3, NTSR2 NR4A1 1089/4885ALDH1A1 1919/4885ALOX15 2824/4885

“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.