SCHEMBL1044155

SCHEMBL1044155

Oc1c(-c2c(C3CCCC3)cc3c(c2O)CCCC3)ccc2c1CCCC2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
NLRP3 Q96P20 1/20 0.33
CES1 P23141 2/20 0.32
NUDT1 P36639 1/20 0.32
BACE1 P56817 1/20 0.32
PARP1 P09874 1/20 0.32
PRKAB2 O43741 1/20 0.32
FEN1 P39748 2/20 0.32
ALOX5AP P20292 1/20 0.32
CTRC Q99895 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
PTPN5 P54829 3/20 0.30
PTPN2 P17706 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
SCHEMBL1044154 0.82 MEN1 (0.38) MEN1KMT2ANUDT1BACE1FEN1
SCHEMBL1046490 0.74 BCL2L1 (0.50) MEN1KMT2ABCL2L1BADCES1
SCHEMBL1044854 0.74 MEN1 (0.40) MEN1KMT2ABCL2L1BADCES1
SCHEMBL1045816 0.72 MEN1 (0.39) MEN1KMT2ABCL2L1BADCES1
SCHEMBL1046489 0.70 MEN1 (0.41) MEN1KMT2ABCL2L1BADCES1
SCHEMBL2049785 0.70 BCL2L1 (0.42) BCL2L1BADFEN1ALOX5AP
SCHEMBL1077250 0.69 GABRA1 (0.40) MEN1KMT2ABCL2L1BADCES1
SCHEMBL16194011 0.69 NUDT1 (0.43) MEN1KMT2ABCL2L1BADNUDT1
SCHEMBL25195073 0.68 KMT2A (0.54) MEN1KMT2APRKAB2ESR1ESR2
SCHEMBL6709364 0.67 HTR2C (0.42) BCL2L1BAD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1820790-B1 3-alkylated-5,5',6,6',7,7',8,8'-octahydro-2,2'-binaphthols and 3,3'-dialkylated-5,5',6,6',7,7',8,8'-octahydro-2,2'-binaphthols and processes for making them INVISTA TECH SARL (CH) 2011-05-11 EP disclosed
EP-2279994-A1 3-Alkylated-5,5',6,6',7,7',8,8'-Octahydro-2,2'-Binaphthols and 3,3'-Dialkylated-5,5',6,6',7,7',8,8'-Octahydro-2,2'-Binaphthols and processes for making them Invista Technologies S.à.r.l. (CH) 2011-02-02 EP disclosed
EP-2275397-A1 3-alkylated-5,5',6,6',7,7',8,8'-octahydro-2,2'-binaphthols and 3,3'-dialkylated-5,5',6,6',7,7',8,8'-octahydro-2,2'-binaphthols and processes for making them Invista Technologies S.à.r.l. (CH) 2011-01-19 EP disclosed
EP-1465851-B1 3-ALKYLATED-5,5',6,6',7,7',8,8'-OCTAHYDRO-2,2'-BINAPHTHOLS AND 3,3'-DIALKYLATED-5,5',6,6',7,7',8,8'-OCTAHYDRO-2,2'-BINAPHTHOLS AND PROCESSES FOR MAKING THEM INVISTA TECH SARL (CH) 2010-06-23 EP disclosed
EP-1820790-A2 3-Alkylated-5,5',6,6',7,7',8,8'-octahydro-2,2'binaphthols and 3,3'-dialkylated-5,5',6,6',7,7',8,8'-octahydro-2,2'-binaphthols and process for making them E.I.Du pont de nemours and company (US) 2007-08-22 EP disclosed
US-7071365-B2 3-alkylated-5,5′,6,6′, 7, 7′, 8, 8′—octahydro-2, 2′-binaphthols and 3, 3′-dialkylated- 5, 5′, 6, 6′, 7, 7′, 8, 8′-octahydro—2, 2′-binaphthols and processes for making INVISTA NORTH AMERICA S.A.R.L. (US) 2006-07-04 US disclosed
US-20050182279-A1 3 - Alkylated-5, 5',6, 6', 7, 7', 8, 8' - octahydro-2, 2' - binaphthols and 3, 3' - dialkylated- 5, 5', 6, 6', 7, 7', 8, 8' - octahydro - 2, 2' - binaphthols and processes for making INVISTA NORTH AMERICA S.A.R.L. 2005-08-18 US disclosed
US-20040054237-A1 3-Alkylated-5,5',6,6',7,7',8,8'-octahydro-2,2'-binaphthols and 3,3'-dialkylated- 5,5',6,6',7,7',8,8'-octahydro-2,2'-binaphthols and processes for making them INVISTA NORTH AMERICA S.A.R.L. (F/K/A ARTEVA NORTH AMERICA S.A.R.L.) 2004-03-18 US disclosed
US-20030100803-A1 3-Alkylated-5,5',6,6',7,7,'8,8'-octahydro-2,2'-binaphthols and 3,3'-dialkylated-5,5',6,6',7,7',8,8'-octahydro-2,2'-binaphthols and processes for making them E.I. DU PONT DE NEMOURS AND COMPANY 2003-05-29 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 (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-20030100803-A1 3-Alkylated-5,5',6,6',7,7,'8,8'-octahydro-2,2'-binaphthols and 3,3'-dialkylated-5,5',6,6',7,7',8,8'-octahydro-2,2'-binaphthols and processes for making them ALKBH3, ALKBH2, UGT8 MEN1 3089/4885KMT2A 1914/4885BCL2L1 1051/4885
US-20040054237-A1 3-Alkylated-5,5',6,6',7,7',8,8'-octahydro-2,2'-binaphthols and 3,3'-dialkylated- 5,5',6,6',7,7',8,8'-octahydro-2,2'-binaphthols and processes for making them ALKBH3, ALKBH2, UGT8 MEN1 3104/4885KMT2A 1879/4885BCL2L1 1050/4885
US-20050182279-A1 3 - Alkylated-5, 5',6, 6', 7, 7', 8, 8' - octahydro-2, 2' - binaphthols and 3, 3' - dialkylated- 5, 5', 6, 6', 7, 7', 8, 8' - octahydro - 2, 2' - binaphthols and processes for making ALKBH3, UGT8, ALKBH2 MEN1 2936/4885KMT2A 1953/4885BCL2L1 1258/4885

“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.