SCHEMBL3096900

SCHEMBL3096900

CCCCCCCCC(=O)[C@@H](O)CC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.59
CES1 P23141 3/20 0.52
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
GPR84 Q9NQS5 1/20 0.50

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
SCHEMBL27386954 1.00 CES2 (0.59) CES2CES1ALDH1A1TSHRSLC22A6
SCHEMBL515288 1.00 CES2 (0.59) CES2CES1ALDH1A1TSHRSLC22A6
SCHEMBL3485988 1.00 CES2 (0.59) CES2CES1ALDH1A1TSHRSLC22A6
SCHEMBL3099780 1.00 CES2 (0.59) CES2CES1ALDH1A1TSHRSLC22A6
SCHEMBL3099789 1.00 CES2 (0.59) CES2CES1ALDH1A1TSHRSLC22A6
SCHEMBL515289 1.00 CES2 (0.59) CES2CES1ALDH1A1TSHRSLC22A6
SCHEMBL3096915 1.00 CES2 (0.59) CES2CES1ALDH1A1TSHRSLC22A6
SCHEMBL3114101 1.00 CES2 (0.59) CES2CES1ALDH1A1TSHRSLC22A6
SCHEMBL3110817 1.00 CES2 (0.59) CES2CES1ALDH1A1TSHRSLC22A6
SCHEMBL3100572 1.00 CES2 (0.59) CES2CES1ALDH1A1TSHRSLC22A6

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-8535689-B2 Identification of bacterial autoinducer and use in treating bacterial pathogenicity THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-09-17 US claimed
US-20100273890-A1 IDENTIFICATION OF BACTERIAL AUTOINDUCER AND USE IN TREATING BACTERIAL PATHOGENICITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-10-28 US claimed
WO-2009088402-A2 IDENTIFICATION OF BACTERIAL AUTOINDUCER AND USE IN TREATING BACTERIAL PATHOGENICITY PRINCETON UNIVERSITY (US) 2009-07-16 WO claimed
US-8535689-B2 Identification of bacterial autoinducer and use in treating bacterial pathogenicity THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-09-17 US disclosed
US-20100273890-A1 IDENTIFICATION OF BACTERIAL AUTOINDUCER AND USE IN TREATING BACTERIAL PATHOGENICITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-10-28 US disclosed
WO-2009088402-A2 IDENTIFICATION OF BACTERIAL AUTOINDUCER AND USE IN TREATING BACTERIAL PATHOGENICITY PRINCETON UNIVERSITY (US) 2009-07-16 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-20100273890-A1 IDENTIFICATION OF BACTERIAL AUTOINDUCER AND USE IN TREATING BACTERIAL PATHOGENICITY TCP1, CTBP2, HCFC1 CES2 1469/4885CES1 638/4885ALDH1A1 4195/4885

“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.