SCHEMBL588785

SCHEMBL588785

OCCc1ccccc1Sc1ccccc1CCO

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.48
SLC6A4 P31645 11/20 0.46
SLC6A2 P23975 8/20 0.46
TDP1 Q9NUW8 1/20 0.42
SLC6A3 Q01959 3/20 0.40
LMNA P02545 2/20 0.40
P4HB P07237 1/20 0.39
IFNAR1 P17181 1/20 0.38
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPY1R P25929 1/20 0.37
MAPK1 P28482 1/20 0.37
NPY2R P49146 1/20 0.37

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
SCHEMBL4448364 0.94 APOBEC3G (0.59) APOBEC3GSLC6A4SLC6A2TDP1SLC6A3
SCHEMBL9763265 0.82 CHRM2 (0.46) APOBEC3GSLC6A4SLC6A2TDP1SLC6A3
SCHEMBL27752842 0.80 APOBEC3G (0.43) APOBEC3GSLC6A4SLC6A2TDP1ALDH1A1
SCHEMBL4442278 0.80 APOBEC3G (0.73) APOBEC3GSLC6A4SLC6A2SLC6A3LMNA
SCHEMBL29534868 0.79 TDP1 (0.55) APOBEC3GTDP1ALDH1A1
SCHEMBL31203 0.79 TDP1 (0.55) APOBEC3GTDP1ALDH1A1
SCHEMBL6535453 0.77 TAAR1 (0.54) SLC6A4P4HB
SCHEMBL3887461 0.77 POLB (0.55) APOBEC3GTDP1LMNAALDH1A1
SCHEMBL5147860 0.77 APOBEC3G (0.55) APOBEC3GSLC6A4SLC6A2SLC6A3
SCHEMBL4143747 0.76 LMNA (0.44) APOBEC3GSLC6A4SLC6A2TDP1SLC6A3

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
US-4122258-A Process for producing desacetoxycephalosporin derivatives by heating a penicillin-1-oxide in presence of an organic sulfide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-10-24 US claimed
CN-111393683-B Modified cationic microgel and preparation method and application thereof 广东科德环保科技股份有限公司 2023-05-23 CN disclosed
US-8115046-B2 Micro encapsulation composition for hydrocarbons and detoxification of highly hazardous chemicals and substances RTA SYSTEMS, INC. (US) 2012-02-14 US disclosed
US-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US disclosed
CN-101622227-A Biaryl and biheteroaryl compounds useful in treating iron disorders XENON PHARMACEUTICALS INC 2010-01-06 CN disclosed
US-20090245939-A1 DUAL-USE MICRO ENCAPSULATION COMPOSITION FOR HYDROCARBONS AND DETOXIFICATION OF HIGHLY HAZARDOUS CHEMICALS AND SUBSTANCES RTA SYSTEMS, INC. (US) 2009-10-01 US disclosed
EP-2061754-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO disclosed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 US disclosed
US-7288549-B2 Heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents AVENTIS PHARMA S.A. (FR) 2007-10-30 US disclosed
EP-1798231-A2 Intermediate products for the preparation of antibacterial compounds NOVEXEL (FR) 2007-06-20 EP disclosed
EP-1399444-B1 NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS NOVEXEL (FR) 2007-04-11 EP disclosed
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents ENTASIS THERAPEUTICS LIMITED (GB) 2005-11-03 US disclosed
EP-1399444-A2 NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS Aventis Pharma S.A. (FR) 2004-03-24 EP disclosed
WO-2002100860-A2 HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-12-19 WO disclosed
US-5177211-A Anti-platelet aggregation and anti-hypotensive ALTER, S.A. (ES) 1993-01-05 US disclosed
EP-0325187-B1 4-ALKYL-1, 4-DIHYDROPYRIDINES WITH PAF-ANTAGONIST ACTIVITY ALTER, S.A. (ES) 1992-11-11 EP disclosed
EP-0325187-A1 4-alkyl-1, 4-dihydropyridines with PAF-antagonist activity ALTER, S.A. (ES) 1989-07-26 EP disclosed
US-4122258-A Process for producing desacetoxycephalosporin derivatives by heating a penicillin-1-oxide in presence of an organic sulfide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-10-24 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-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC10A1, SLC40A1 APOBEC3G 2840/4885SLC6A4 724/4885SLC6A2 247/4885
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents FDPS, MRPL21, DHPS APOBEC3G 3776/4885SLC6A4 4171/4885SLC6A2 2495/4885

“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.