SCHEMBL3324936

SCHEMBL3324936

O=C1CCCCC(=O)OCCC1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.75
CA9 Q16790 1/20 0.75
TRIM24 O15164 2/20 0.53
TRIM33 Q9UPN9 2/20 0.53
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
CYP2D6 P10635 1/20 0.31

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
Cyclopentanone SCHEMBL3628580 1.00 CA1 (0.75) CA1CA9TRIM24TRIM33ALDH1A1
SCHEMBL2562226 0.97 CA1 (0.71) CA1CA9TRIM24TRIM33ALDH1A1
Cyclohexanone SCHEMBL9561320 0.97 CA1 (0.71) CA1CA9TRIM24TRIM33ALDH1A1
SCHEMBL2348331 0.97 CA1 (0.71) CA1CA9TRIM24TRIM33ALDH1A1
SCHEMBL6201351 0.95 CA1 (0.68) CA1CA9TRIM24TRIM33ALDH1A1
SCHEMBL30742652 0.95 CA1 (0.84) CA1CA9TRIM24TRIM33ALDH1A1
Cyclohexanone SCHEMBL2324675 0.92 CA1 (0.80) CA1CA9TRIM24TRIM33ALDH1A1
SCHEMBL17515063 0.92 CA1 (0.80) CA1CA9TRIM24TRIM33ALDH1A1
SCHEMBL13317121 0.92 CA1 (0.80) CA1CA9TRIM24TRIM33ALDH1A1
SCHEMBL15141411 0.92 CA1 (0.80) CA1CA9TRIM24TRIM33ALDH1A1

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-7741456-B2 Polyketides and antibiotics produced by combinatorial techniques THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-06-22 US disclosed
US-20080200659-A1 Combinatorial polyketide libraries produced using a modular PKS gene cluster as scaffold THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-08-21 US disclosed
US-20060019371-A1 Macrolide analogs NATIONAL SCIENCE FOUNDATION 2006-01-26 US disclosed
US-6984515-B2 Generation of preferential nucleotide sequences coding enzymatic polypeptide; obtain cell, transform with vector coding enzymatic polypeptide, express vector, detect polypeptide THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2006-01-10 US disclosed
US-6927057-B2 Macrolide analogs KOSAN BIOSCIENCES (US) 2005-08-09 US disclosed
US-6558942-B1 Compound for use in the generation of antibiotics THE LELAND STANFORD JUNIOR UNIVERSITY 2003-05-06 US disclosed
EP-0098367-A2 Process for preparing macrocyclic ketol actones HÜLS AKTIENGESELLSCHAFT (DE) 1984-01-18 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 (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-20080200659-A1 Combinatorial polyketide libraries produced using a modular PKS gene cluster as scaffold COASY, KARS1, EMG1 CA1 4814/4885CA9 4363/4885TRIM24 916/4885
US-20060019371-A1 Macrolide analogs COASY, LSS, EMG1 CA1 4873/4885CA9 4531/4885TRIM24 1313/4885

“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.