SCHEMBL809553

SCHEMBL809553

CCCCC(C=O)Sc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.43
PPARA Q07869 5/20 0.43
ALOX5 P09917 4/20 0.43
LMNA P02545 1/20 0.42
PAX8 Q06710 1/20 0.42
PTGES O14684 3/20 0.40
CTSK P43235 10/20 0.38
CTSL P07711 4/20 0.38
CTSB P07858 4/20 0.38
CTSH P09668 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
PKM P14618 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL809514 0.95 LMNA (0.41) PPARGPPARAALOX5LMNAPAX8
SCHEMBL809602 0.93 LMNA (0.40) PPARGPPARAALOX5LMNAPAX8
SCHEMBL809641 0.93 LMNA (0.40) PPARGPPARAALOX5LMNAPAX8
SCHEMBL809661 0.93 LMNA (0.40) PPARGPPARAALOX5LMNAPAX8
SCHEMBL1453475 0.86 PPARG (0.41) PPARGPPARAALOX5LMNAPAX8
SCHEMBL809550 0.82 ALDH1A1 (0.41) LMNAPAX8SMN1; SMN2PKM
SCHEMBL1454788 0.81 LMNA (0.40) PPARGPPARAALOX5LMNAPAX8
SCHEMBL23964577 0.76 SMN1; SMN2 (0.38) LMNAPAX8SMN1; SMN2PKM
SCHEMBL3188902 0.76 KIF11 (0.39) CTSKCTSLCTSBCTSHSMN1; SMN2
SCHEMBL1455005 0.74 PPARG (0.43) PPARGPPARAALOX5LMNAPAX8

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 PPARG 3289/4885PPARA 4019/4885ALOX5 556/4885

“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.