SCHEMBL1053967

SCHEMBL1053967

C1=C(C2CCCCC2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
KDM1A O60341 1/20 0.40
HIF1A Q16665 1/20 0.36

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
SCHEMBL7144001 1.00 MAPT (0.41) MAPTKDM1AHIF1A
SCHEMBL28927594 1.00 MAPT (0.41) MAPTKDM1AHIF1A
SCHEMBL1234810 0.97 MAPT (0.42) MAPTKDM1AHIF1A
SCHEMBL216035 0.93 KDM1A (0.48) MAPTKDM1AHIF1A
SCHEMBL6682662 0.93 KDM1A (0.48) MAPTKDM1AHIF1A
SCHEMBL8361882 0.93 KDM1A (0.48) MAPTKDM1AHIF1A
SCHEMBL123151 0.93 KDM1A (0.48) MAPTKDM1AHIF1A
SCHEMBL20552191 0.93 KDM1A (0.48) MAPTKDM1AHIF1A
SCHEMBL693557 0.93 KDM1A (0.48) MAPTKDM1AHIF1A
SCHEMBL11552545 0.93 KDM1A (0.48) MAPTKDM1AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-05-16 US claimed
US-20120164103-A1 Compounds and Methods for the Treatment or Prevention of Flavivirus Infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-06-28 US claimed
EP-2363396-A1 Thiophene derivatives as antiviral agents for flavivirus infection Virochem Pharma Inc. (CA) 2011-09-07 EP claimed
US-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-18 US claimed
US-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US claimed
EP-2206709-A2 Thiophene derivatives as antiviral agents for flavivirus infection Virochem Pharma Inc. (CA) 2010-07-14 EP claimed
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 EP claimed
US-7569600-B2 Compounds and methods for the treatment of prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2009-08-04 US claimed
CN-100509797-C Thiophene derivatives as antiviral agents against flavivirus infections VIRUS CHEM PHARMA INC (CA) 2009-07-08 CN claimed
EP-1879879-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Virochem Pharma Inc. (CA) 2008-01-23 EP claimed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 US claimed
CN-1602308-A Thiophene derivatives as antiviral agents against flavivirus infections VIRUS CHEM PHARMA INC (CA) 2005-03-30 CN claimed
US-20040116509-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SHIRE BIOCHEM INC. (CA) 2004-06-17 US claimed
EP-1401825-A2 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION Shire Biochem Inc. (CA) 2004-03-31 EP claimed
US-20040058968-A1 LFA-1 antagonist compounds GENENTECH, INC. 2004-03-25 US claimed
EP-1347968-A1 LFA-1 ANTAGONIST COMPOUNDS GENENTECH, INC. (US) 2003-10-01 EP claimed
WO-2002100851-A2 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION SHIRE BIOCHEM INC. (CA) 2002-12-19 WO claimed
WO-2002059114-A9 LFA-1 ANTAGONIST COMPOUNDS GENENTECH INC (US) 2002-10-17 WO claimed
US-20020119994-A1 LFA-1 Antagonist compounds GENENTECH, INC 2002-08-29 US claimed
WO-2002059114-A1 LFA-1 ANTAGONIST COMPOUNDS GENENTECH, INC. (US) 2002-08-01 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS MAPT 1458/4885KDM1A 2573/4885HIF1A 2490/4885
US-20120164103-A1 Compounds and Methods for the Treatment or Prevention of Flavivirus Infections ZC3HAV1, YBX1, HAX1 MAPT 1308/4885KDM1A 1080/4885HIF1A 2107/4885
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS MAPT 1458/4885KDM1A 2573/4885HIF1A 2490/4885
US-20040058968-A1 LFA-1 antagonist compounds ICAM1, VCAM1, CD58 MAPT 4423/4885KDM1A 960/4885HIF1A 1668/4885
US-20020119994-A1 LFA-1 Antagonist compounds ICAM1, VCAM1, CD58 MAPT 4513/4885KDM1A 1105/4885HIF1A 1325/4885

“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.