SCHEMBL1044852

SCHEMBL1044852

CC(C)c1cc2c(c(O)c1-c1ccc3c(c1)CCCC3)CCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSP90AA1 P07900 3/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CES1 P23141 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL216446 0.84 MEN1 (0.44) MEN1KMT2AHSP90AA1CA1CA2
SCHEMBL1044854 0.81 MEN1 (0.40) MEN1KMT2AHSP90AA1CA1CA2
SCHEMBL216445 0.80 MEN1 (0.45) MEN1KMT2AHSP90AA1CA1CA2
SCHEMBL1045814 0.78 MEN1 (0.38) MEN1KMT2ACYP11B1CYP11B2CA1
SCHEMBL1046489 0.74 MEN1 (0.41) MEN1KMT2ACYP11B1CYP11B2ADRA2A
SCHEMBL1044154 0.74 MEN1 (0.38) MEN1KMT2ACYP11B1CYP11B2ADRA2A
SCHEMBL11092448 0.73 POLB (0.39) MEN1KMT2ACA1CA2HPGD
SCHEMBL1077249 0.72 AKR1B1 (0.40) MEN1KMT2ACYP11B1CYP11B2ADRA2A
SCHEMBL11084327 0.71 CA1 (0.41) MEN1KMT2ACA1CA2CYP1A2
SCHEMBL1523966 0.69 MEN1 (0.54) MEN1KMT2ACA1CA2CES1

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 12 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-1448620-B1 SUPPORTED BIS(PHOSPHORUS)LIGANDS AND THEIR USE IN THE CATALYSIS INVISTA TECH SARL (CH) 2008-06-04 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-6984604-B2 Supported bis(phosphorus) ligands and their use in the catalysis INVISTA NORTH AMERICA S.A.R.L. (US) 2006-01-10 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-20030153691-A1 Supported bis(phosphorus) ligands and their use in the catalysis INVISTA NORTH AMERICA S.A.R.L. 2003-08-14 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 1914/4885HSP90AA1 4293/4885
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 1879/4885HSP90AA1 4281/4885
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 1953/4885HSP90AA1 4294/4885

“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.