SCHEMBL416807

SCHEMBL416807

ICCCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 11/20 0.51
FFAR1 O14842 2/20 0.47
DAO P14920 1/20 0.46

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
SCHEMBL15565006 0.89 ALDH1A1 (0.58) FDFT1FFAR1DAO
SCHEMBL9673186 0.83 FFAR1 (0.55) FDFT1FFAR1
SCHEMBL3169044 0.83 CYP4F2 (0.66) FFAR1
SCHEMBL8420595 0.83 KCNA3 (0.53) FFAR1
SCHEMBL10106347 0.82 MAOA (0.52) FDFT1
SCHEMBL7774935 0.82 CYP4F2 (0.56) FDFT1FFAR1
SCHEMBL9331970 0.82 FDFT1 (0.51) FDFT1FFAR1DAO
SCHEMBL6795855 0.82 LTA4H (0.55) FDFT1
SCHEMBL8298900 0.82 FDFT1 (0.51) FDFT1FFAR1DAO
SCHEMBL9799443 0.82 FDFT1 (0.51) FDFT1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103641697-B Preparation method of medical intermediate 1-(3-iodopropyl)-3-phenoxy benzene UNIV CHANGZHOU 2015-04-01 CN disclosed
CN-103641697-B Preparation method of medical intermediate 1-(3-iodopropyl)-3-phenoxy benzene UNIV CHANGZHOU 2015-04-01 CN disclosed
CN-103641697-A Preparation method of medical intermediate 1-(3-iodopropyl)-3-phenoxy benzene UNIV CHANGZHOU 2014-03-19 CN disclosed
CN-103641697-A Preparation method of medical intermediate 1-(3-iodopropyl)-3-phenoxy benzene UNIV CHANGZHOU 2014-03-19 CN disclosed
US-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-01-26 US disclosed
US-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-01-26 US disclosed
US-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-01-26 US disclosed
WO-2010123599-A9 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-02-17 WO disclosed
WO-2010123599-A9 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-02-17 WO disclosed
WO-2010123599-A2 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-10-28 WO disclosed
WO-2010123599-A2 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-10-28 WO disclosed
US-5712396-A PHOSPHONOSULFONATE COMPOUNDS USED FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND ATHEROSCLEROSIS MAGNIN DAVID R (US) 1998-01-27 US disclosed
US-5618964-A Prodrug esters of phosphonosulfonate squalene synthetase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 US disclosed
US-5567841-A ANTICHOLESTEROL AGENT BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-22 US disclosed
US-5543542-A REACTING PHOSPHONOSULFONATE WITH OXIDIZING AGENT, REACTING PRODUCT WITH HYDROXYLAMINE PROTECTING AGENT, THEN WITH SILYL BROMIDE OR IODIDE LAWRENCE R MICHAEL (US) 1996-08-06 US disclosed
EP-0698609-A1 Alpha-phosphorus substituted sulfinate derivatives as squalene synthetase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-02-28 EP disclosed
US-5470845-A Methods of using α-phosphonosulfonate squalene synthetase inhibitors including the treatment of atherosclerosis and hypercholesterolemia BRISTOL-MYERS SQUIBB COMPANY (US) 1995-11-28 US disclosed
US-5447922-A Anticholesterol agents and enzyme inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-09-05 US disclosed
EP-0595635-A1 Alpha-phosphorous substituted sulfonate derivatives as squalene synthetase inhibitors E.R. Squibb & Sons, Inc. (US) 1994-05-04 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 (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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS CUTA, MMP8, CLPP FDFT1 1987/4885FFAR1 4021/4885DAO 2630/4885

“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.