SCHEMBL809548

SCHEMBL809548

CC(C)C(C=O)Sc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 3/20 0.35
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.34
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
MGLL Q99685 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
PTPN1 P18031 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 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
SCHEMBL809567 0.78 LMNA (0.39) LMNASMN1; SMN2L3MBTL1MAOAMAOB
SCHEMBL2025569 0.77 ESR1 (0.35) LMNASMN1; SMN2L3MBTL1KDM4EGAA
SCHEMBL8428763 0.71 MAOA (0.39) LMNASMN1; SMN2L3MBTL1MAOAMAOB
SCHEMBL24012949 0.70 MAOA (0.41) LMNASMN1; SMN2L3MBTL1MAOAMAOB
SCHEMBL95521 0.70 LMNA (0.42) LMNASMN1; SMN2L3MBTL1MAOAMAOB
SCHEMBL10344557 0.70 MAOA (0.41) LMNASMN1; SMN2L3MBTL1MAOAMAOB
Acetic Acid SCHEMBL22497414 0.70 LMNA (0.47) LMNASMN1; SMN2L3MBTL1KDM4EGAA
SCHEMBL809550 0.69 ALDH1A1 (0.41) LMNASMN1; SMN2L3MBTL1MAOAMAOB
SCHEMBL5540954 0.69 LMNA (0.36) LMNASMN1; SMN2L3MBTL1MAOAMAOB
SCHEMBL4699950 0.69 MAOA (0.38) LMNASMN1; SMN2L3MBTL1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis SCO2, CBR1, CBR3 LMNA 924/4885SMN1; SMN2 3982/4885L3MBTL1 3514/4885

“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.