SCHEMBL1077249

SCHEMBL1077249

C=CCc1cc2c(c(O)c1-c1ccc3c(c1)CCCC3)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.40
GABRA1 P14867 4/20 0.39
GABRB2 P47870 4/20 0.39
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
GAA P10253 3/20 0.35
MAPT P10636 3/20 0.35
ALOX5 P09917 2/20 0.35
CNR2 P34972 2/20 0.35
POLB P06746 1/20 0.35
GABRB1 P18505 1/20 0.35
RXRA P19793 1/20 0.35
CNR1 P21554 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL1082076 0.86 GABRA1 (0.40) AKR1B1GABRA1GABRB2KMT2AMEN1
SCHEMBL1077250 0.83 GABRA1 (0.40) AKR1B1GABRA1GABRB2KMT2AMEN1
SCHEMBL1082073 0.82 KMT2A (0.38) AKR1B1GABRA1GABRB2KMT2AMEN1
SCHEMBL3290440 0.75 GABRA1 (0.44) AKR1B1GABRA1GABRB2KMT2AMEN1
SCHEMBL1044852 0.72 MEN1 (0.39) GABRA1KMT2AMEN1MAPTGABRB1
SCHEMBL3294439 0.72 GABRA1 (0.44) AKR1B1GABRA1GABRB2KMT2AMEN1
SCHEMBL1045814 0.71 MEN1 (0.38) GABRA1GABRB2KMT2AMEN1GAA
SCHEMBL10494834 0.71 MAPT (0.38) AKR1B1GABRA1GABRB2KMT2AMEN1
SCHEMBL1046489 0.70 MEN1 (0.41) KMT2AMEN1MAPTCYP11B1CYP11B2
SCHEMBL1044154 0.70 MEN1 (0.38) KMT2AMEN1GAAMAPTPOLB

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 10 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
JP-2009108106-A 3-ALKYL-5,5',6,6',7,7',8,8'-OCTAHYDRO-2,2'-BINAPHTHOL AND 3,3'-DIALKYL-5,5',6,6',7,7',8,8'-OCTAHYDRO-2,2'-BINAPHTHOL AND PRODUCTION METHOD OF THESE INVISTA TECHNOLOGIES SARL 2009-05-21 JP 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 AKR1B1 675/4885GABRA1 1662/4885GABRB2 1259/4885
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 AKR1B1 670/4885GABRA1 1661/4885GABRB2 1252/4885
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 AKR1B1 572/4885GABRA1 1724/4885GABRB2 1221/4885

“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.