SCHEMBL809550

SCHEMBL809550

CCC(C=O)Sc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 4/20 0.36
PAX8 Q06710 1/20 0.36
HTT P42858 1/20 0.36
KCNH2 Q12809 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
POLB P06746 2/20 0.34
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL1455282 0.83 ALDH1A1 (0.39) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL11291783 0.82 MAPT (0.39) ALDH1A1L3MBTL1GAALMNAHTT
SCHEMBL809553 0.82 PPARG (0.43) SMN1; SMN2PKMLMNAPAX8
SCHEMBL23964577 0.82 SMN1; SMN2 (0.38) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL11281926 0.81 TSHR (0.45) ALDH1A1L3MBTL1SMN1; SMN2LMNAHTT
SCHEMBL809514 0.80 LMNA (0.41) ALDH1A1SMN1; SMN2PKMLMNAPAX8
SCHEMBL809641 0.79 LMNA (0.40) ALDH1A1PKMLMNAPAX8TDP1
SCHEMBL809602 0.79 LMNA (0.40) ALDH1A1PKMLMNAPAX8TDP1
SCHEMBL809661 0.79 LMNA (0.40) ALDH1A1PKMLMNAPAX8TDP1
SCHEMBL1894871 0.78 EPHX1 (0.44) PKMMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117897423-A Stabilized poly (alkylaldehydes) 博伊西州立大学 2024-04-16 CN claimed
CN-117897423-A Stabilized poly (alkylaldehydes) 博伊西州立大学 2024-04-16 CN disclosed
US-9758502-B2 Dihydropyrone compounds and herbicides comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-09-12 US disclosed
US-20150299156-A1 DIHYDROPYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-22 US disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
WO-2006007586-A1 ORGANOCATALYSTS AND METHODS OF USE IN CHEMICAL SYNTHESIS SCIENCE & TECHNOLOGY CORPORATION @ UNM (US) 2006-01-19 WO 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-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis SCO2, CBR1, CBR3 ALDH1A1 1287/4885L3MBTL1 3514/4885KDM4E 3845/4885
US-20150299156-A1 DIHYDROPYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME CBR3, DDT, WEE2 ALDH1A1 463/4885L3MBTL1 794/4885KDM4E 699/4885

“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.