SCHEMBL5426438

SCHEMBL5426438

O=C1OC(O)c2cccc(Cl)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 4/20 0.39
HTR2B P41595 4/20 0.37
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
ALDH1A1 P00352 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CES1 P23141 1/20 0.35
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
TP53 P04637 1/20 0.34
RECQL P46063 1/20 0.34
CACNG8 Q8WXS5 2/20 0.34
GRIA1 P42261 1/20 0.34
HTR7 P34969 1/20 0.34
LDHA P00338 1/20 0.33

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
SCHEMBL18456942 0.83 HTR2A (0.36) HTR2BHTR2AHTR2CALDH1A1HIF1A
SCHEMBL23707669 0.78 CES2 (0.50) ALDH1A1HSD17B10MEN1MAPK1KMT2A
SCHEMBL9140835 0.78 CES2 (0.50) ALDH1A1HSD17B10MEN1MAPK1KMT2A
SCHEMBL4496746 0.77 PBRM1 (0.39) PBRM1HTR2BHTR2AHTR2CMEN1
SCHEMBL3756810 0.77 CA1 (0.38) PBRM1HTR2BHTR2CMEN1KMT2A
SCHEMBL22276494 0.77 CA1 (0.38) PBRM1HTR2BHTR2CALDH1A1MAPK1
SCHEMBL23963013 0.77 ADORA2A (0.37) ALDH1A1MEN1KMT2ARECQL
SCHEMBL18826578 0.77 CA1 (0.38) HTR2BHTR2AHTR2CMEN1KMT2A
SCHEMBL7825909 0.76 ALDH1A1 (0.44) ALDH1A1HSD17B10MEN1KMT2ALMNA
SCHEMBL3374566 0.74 ERN1 (0.37) ALDH1A1MEN1KMT2ALMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070031514-A1 Use of isoindolinone derivatives as insecticides BAYER CROPSCIENCE AG (DE) 2007-02-08 US disclosed
US-20070031514-A1 Use of isoindolinone derivatives as insecticides BAYER CROPSCIENCE AG (DE) 2007-02-08 US disclosed
US-20070031514-A1 Use of isoindolinone derivatives as insecticides BAYER CROPSCIENCE AG (DE) 2007-02-08 US disclosed
EP-1635639-A1 USE OF ISOINDOLINONE DERIVATIVES AS INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-03-22 EP disclosed
WO-2004110149-A1 USE OF ISOINDOLINONE DERIVATIVES AS INSECTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-12-23 WO disclosed
EP-0399818-B1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC (CA) 1995-08-16 EP disclosed
US-5204358-A Antiallergens; antiinflammatory agents; treatment of asthma, rhinitis, bronchitis and skin diseases MERCK FROSST CANADA, INC. (CA) 1993-04-20 US disclosed
US-5104882-A Leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1992-04-14 US disclosed
EP-0399818-A1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC. (CA) 1990-11-28 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-20070031514-A1 Use of isoindolinone derivatives as insecticides DDT, CYP1A2, CYP1A1 PBRM1 2946/4885HTR2B 1910/4885HTR2A 567/4885

“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.