SCHEMBL787355

SCHEMBL787355

N[C@H]1CCOC(=O)CCCOC1=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
FKBP4 Q02790 3/20 0.33
CYP2D6 P10635 1/20 0.32

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
Homoserine Lactone SCHEMBL28275156 0.98 CA1 (0.48) CA1CA9ALDH1A1LMNATP53
SCHEMBL2423922 0.88 ALDH1A1 (0.46) CA1CA9ALDH1A1LMNATP53
SCHEMBL3715777 0.86 CA1 (0.52) CA1CA9ALDH1A1LMNATP53
Homoserine Lactone SCHEMBL79466 0.83
Homoserine Lactone SCHEMBL79968 0.83
Homoserine Lactone SCHEMBL79969 0.83
SCHEMBL731550 0.83 TSHR (0.32) ALDH1A1LMNATP53TSHR
SCHEMBL3661549 0.82 ALDH1A1 (0.42) CA1CA9ALDH1A1LMNATP53
Homoserine Lactone SCHEMBL1147212 0.81
Homoserine Lactone SCHEMBL7217249 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350061-B2 Synthetic analogs of bacterial quorum sensors LOS ALAMOS NATIONAL SECURITY, LLC (US) 2013-01-08 US disclosed
US-20120071430-A1 SYNTHETIC ANALOGS OF BACTERIAL QUORUM SENSORS LOS ALAMOS NATIONAL LABORATORY (US) 2012-03-22 US disclosed
US-8071790-B2 Synthetic analogs of bacterial quorum sensors LOS ALAMOS NATIONAL SECURITY, LLC (US) 2011-12-06 US disclosed
US-20110053890-A1 SYNTHETIC ANALOGS OF BACTERIAL QUORUM SENSORS LOS ALAMOS NATIONAL SECURITY, LLC. (US) 2011-03-03 US 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-20110053890-A1 SYNTHETIC ANALOGS OF BACTERIAL QUORUM SENSORS QRFPR, COASY, Q6ZSR9 CA1 4052/4885CA9 1249/4885ALDH1A1 4198/4885
US-20120071430-A1 SYNTHETIC ANALOGS OF BACTERIAL QUORUM SENSORS QRFPR, COASY, Q6ZSR9 CA1 4052/4885CA9 1249/4885ALDH1A1 4198/4885

“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.