SCHEMBL1023923

SCHEMBL1023923

OCc1cc(I)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.53
F2 P00734 1/20 0.53
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
APP P05067 4/20 0.49
CTSG P08311 1/20 0.48
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
USP28 Q96RU2 1/20 0.47
USP25 Q9UHP3 1/20 0.47
FFAR1 O14842 1/20 0.47
HTT P42858 1/20 0.46
CCR5 P51681 1/20 0.44
PTGER1 P34995 1/20 0.44

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
SCHEMBL2853160 0.87 APP (0.49) ELANEF2APPCTSGHTR1A
SCHEMBL1021663 0.84 CCR5 (0.48) APPHTR1ADRD2USP28USP25
SCHEMBL6213896 0.84 CCR5 (0.49) APPHTR1ADRD2FFAR1CCR5
SCHEMBL8757373 0.83 ELANE (0.71) ELANEF2SLC6A2CTSGHTR1A
SCHEMBL6370737 0.81 HTR1A (0.49) APPHTR1ADRD2USP28USP25
SCHEMBL11647126 0.81 APP (0.56) APPHTR1ADRD2FFAR1
SCHEMBL31375355 0.81 APP (0.56) APPHTR1ADRD2FFAR1
SCHEMBL4680227 0.81 USP28 (0.68) ELANEF2USP28USP25HTT
SCHEMBL2954443 0.81 MAPT (0.60) ELANEF2PTGER1
SCHEMBL6212452 0.81 PTGER1 (0.60) ELANEF2CTSGHTR1ADRD2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797110-B1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO KG (DE) 2011-01-12 EP disclosed
US-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 US disclosed
US-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 US disclosed
CN-101090909-A Antibacterial amide macrocycles IV AICURIS GMBH & CO KG (DE) 2007-12-19 CN disclosed
CN-1326870-C Antibacterial amide macrocycles BAYER HEALTHCARE AG (DE) 2007-07-18 CN disclosed
EP-1797110-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AiCuris GmbH & Co. KG (DE) 2007-06-20 EP disclosed
US-20070129288-A1 Antibacterial amide macrocycles BAYER HEALTHCARE AG (DE) 2007-06-07 US disclosed
US-20070129288-A1 Antibacterial amide macrocycles BAYER HEALTHCARE AG (DE) 2007-06-07 US disclosed
CN-1675236-A Antibacterial amide macrocycles BAYER HEALTHCARE AG (DE) 2005-09-28 CN disclosed
EP-1526896-A1 ANTIBACTERIAL ESTER MACROCYCLES Bayer HealthCare AG (DE) 2005-05-04 EP disclosed
WO-2005033129-A1 ANTIBACTERIAL AMIDE MACROCYCLES BAYER HEALTHCARE AG (DE) 2005-04-14 WO disclosed
EP-1515983-A1 ANTIBACTERIAL AMIDE MACROCYCLES Bayer HealthCare AG (DE) 2005-03-23 EP disclosed
US-6803457-B1 ADENOSINE RECEPTORS; FOR REDUCTION OF TISSUE DAMAGE RESULTING FROM HYPOXIA/CARDIOVASCULAR DISORDERS IN MAMMALS/HUMANS PFIZER, INC. 2004-10-12 US disclosed
US-20040198693-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2004-10-07 US disclosed
WO-2004012816-A1 ANTIBACTERIAL ESTER MACROCYCLES BAYER HEALTHCARE AG (DE) 2004-02-12 WO disclosed
WO-2003106480-A1 ANTIBACTERIAL AMIDE MACROCYCLES BAYER HEALTHCARE AG (DE) 2003-12-24 WO disclosed
EP-1216257-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2002-06-26 EP disclosed
WO-2001023399-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 2001-04-05 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 (3 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-20070129288-A1 Antibacterial amide macrocycles AADAC, AAAS, MRPL21 ELANE 168/4885F2 675/4885SLC6A2 4333/4885
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC ELANE 922/4885F2 510/4885SLC6A2 4672/4885
US-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 ELANE 1725/4885F2 3841/4885SLC6A2 1476/4885

“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.