SCHEMBL809661

SCHEMBL809661

CCCCCCCC(C=O)Sc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
PAX8 Q06710 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALOX5 P09917 2/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
CSNK1E P49674 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CNR2 P34972 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
PTGES O14684 1/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
PLA2G10 O15496 1/20 0.35
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35

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
SCHEMBL809641 1.00 LMNA (0.40) LMNAPAX8MEN1KMT2ANPSR1
SCHEMBL809602 1.00 LMNA (0.40) LMNAPAX8MEN1KMT2ANPSR1
SCHEMBL809514 0.98 LMNA (0.41) LMNAPAX8MEN1KMT2ANPSR1
SCHEMBL809553 0.93 PPARG (0.43) LMNAPAX8ALOX5PPARGPPARA
SCHEMBL1454788 0.85 LMNA (0.40) LMNAPAX8MEN1KMT2ANPSR1
SCHEMBL1453475 0.80 PPARG (0.41) LMNAPAX8ALOX5PPARGPPARA
SCHEMBL809550 0.79 ALDH1A1 (0.41) LMNAPAX8NPSR1TDP1ALDH1A1
SCHEMBL1454448 0.76 CSNK1E (0.41) LMNAPAX8MEN1KMT2ANPSR1
SCHEMBL1454798 0.76 CSNK1E (0.41) LMNAPAX8MEN1KMT2ANPSR1
SCHEMBL1455367 0.76 CSNK1E (0.41) LMNAPAX8MEN1KMT2ANPSR1

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 6 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-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 924/4885PAX8 1672/4885MEN1 682/4885

“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.