SCHEMBL3225191

SCHEMBL3225191

O=C[C@H](O)[C@@H](Oc1cc2ccccc2[nH]1)[C@@H](OCl)[C@@H](CO)OBr

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7212875 1.00 CYP2A6 (0.32) CYP2A6KDM4EALDH1A1
SCHEMBL8632759 0.92 CYP2A6 (0.32) CYP2A6
SCHEMBL4622730 0.85 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL55697 0.84 KDM4E (0.34) CYP2A6KDM4E
SCHEMBL4608629 0.83 KDM4E (0.33) CYP2A6KDM4E
Cyclohexane SCHEMBL8638010 0.82 KDM4E (0.32) CYP2A6KDM4EALDH1A1
SCHEMBL4925150 0.77 PDGFRB (0.34) CYP2A6KDM4E
SCHEMBL1246522 0.76 KDM4E (0.36) CYP2A6KDM4E
Cyclohexylamine SCHEMBL1254606 0.76 SMYD3 (0.32) KDM4EALDH1A1
SCHEMBL4926350 0.74 FLT3 (0.34) CYP2A6KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227584-B2 Ostertagia vaccine UNIVERSITEIT GENT (NL) 2012-07-24 US disclosed
US-20100209446-A1 Ostertagia Vaccine UNIVERSITEIT GENT 2010-08-19 US disclosed
US-7718179-B2 Ostertagia ostertagi proteins; immunogenic composition UNIVERSITEIT GENT (BE) 2010-05-18 US disclosed
WO-2010018592-A2 LETHAL GENE AS A TOOL FOR ZERO BACKGROUND CLONING LUPIN LIMITED (IN) 2010-02-18 WO disclosed
US-20090028892-A1 Ostertagia Vaccine UNIVERSITEIT GENT (BE) 2009-01-29 US disclosed
EP-1539820-B1 OSTERTAGIA VACCINE UNIV GENT (BE) 2008-04-16 EP disclosed
US-7264812-B2 Ostertagia vaccine UNIVERSITEIT GENT (BE) 2007-09-04 US disclosed
US-20050271683-A1 Ostertagia vaccine UNIVERSITEIT GENT (BE) 2005-12-08 US disclosed
US-20050227345-A1 Quorum sensing signaling in bacteria AURORA BIOSCIENCES CORPORATION (US) 2005-10-13 US disclosed
EP-1539820-A2 OSTERTAGIA VACCINE UNIVERSITEIT GENT (BE) 2005-06-15 EP disclosed
US-6855513-B1 Quorum sensing signaling in bacteria UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2005-02-15 US disclosed
WO-2004083385-A2 QUORUM SENSING SIGNALING IN BACTERIA UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2004-09-30 WO disclosed
WO-2004024769-A2 OSTERTAGIA VACCINE UNIVERSITEIT GENT (BE) 2004-03-25 WO disclosed
US-20040052817-A1 Ostertagia vaccine GELDHOF PETER (BE) 2004-03-18 US disclosed
US-20040033549-A1 Identifying modulator of biofilm formation and/or infection for treatment and prevention of infections, skin, periodontal and respiratory system disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-02-19 US disclosed
EP-1250450-A2 QUORUM SENSING SIGNALING IN BACTERIA University of Iowa Research Foundation Inc. (US) 2002-10-23 EP disclosed
WO-2001018248-A2 QUORUM SENSING SIGNALING IN BACTERIA THE UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2001-03-15 WO disclosed
WO-2000015846-A1 ZERO BACKGROUND UNIVERSAL CLONING METHOD HYMAN EDWARD DAVID (US) 2000-03-23 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-20050227345-A1 Quorum sensing signaling in bacteria PGLS, Q6ZSR9, FDPS CYP2A6 3681/4885KDM4E 1625/4885ALDH1A1 4630/4885

“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.