SCHEMBL216445

SCHEMBL216445

CC(C)c1cc2c(cc1-c1c(C(C)C)cc3c(c1O)CCCC3)CCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GABRA1 P14867 4/20 0.35
GABRB1 P18505 3/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
FDPS P14324 2/20 0.33
GABRB2 P47870 2/20 0.32
CDC25B P30305 1/20 0.32
DRD3 P35462 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CES1 P23141 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2B6 P20813 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
SCHEMBL216446 0.88 MEN1 (0.44) MEN1KMT2AGABRA1GABRB1CA1
SCHEMBL1044854 0.84 MEN1 (0.40) MEN1KMT2AGABRA1GABRB1CA1
SCHEMBL1044852 0.80 MEN1 (0.39) MEN1KMT2AGABRA1GABRB1CA1
SCHEMBL1523966 0.78 MEN1 (0.54) MEN1KMT2AGABRA1GABRB1CA1
SCHEMBL11092448 0.76 POLB (0.39) MEN1KMT2AGABRA1GABRB1CA1
SCHEMBL11084327 0.75 CA1 (0.41) MEN1KMT2AGABRA1GABRB1CA1
SCHEMBL1048152 0.75 MEN1 (0.53) MEN1KMT2ACDC25BKDM4EALDH1A1
SCHEMBL19304039 0.72 GABRA1 (0.38) MEN1KMT2AGABRA1GABRB1CA1
SCHEMBL1048153 0.71 MEN1 (0.51) MEN1KMT2ACA1CA2KDM4E
SCHEMBL1046662 0.70 MEN1 (0.41) MEN1KMT2ACDC25BKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2229353-B1 HYDROCYANATION OF PENTENENITRILES INVISTA TEXTILES (U K ) LTD (GB) 2018-01-03 EP disclosed
EP-2041076-B1 HYDROCYANATION PROCESS WITH REDUCED YIELD LOSSES INVISTA TECH SARL (CH) 2014-03-26 EP disclosed
US-8088943-B2 Hydrocyanation of pentenenitriles INVISTA NORTH AMERICA S.A R.L. (US) 2012-01-03 US disclosed
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-2046729-B1 HYDROCYANATION PROCESS WITH REDUCED YIELD LOSSES INVISTA TECH SARL (CH) 2010-09-22 EP disclosed
EP-2229353-A1 HYDROCYANATION OF PENTENENITRILES Invista Technologies S.A R.L. (CH) 2010-09-22 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
US-7709674-B2 Hydrocyanation process with reduced yield losses INVISTA NORTH AMERICA S.A R.L (US) 2010-05-04 US disclosed
US-20090182164-A1 HYDROCYANATION OF PENTENENITRILES INVISTA NORTH AMERICA S.A R.L. (US) 2009-07-16 US disclosed
EP-2041076-A2 HYDROCYANATION PROCESS WITH REDUCED YIELD LOSSES Invista Technologies S.a.r.l. (CH) 2009-04-01 EP disclosed
US-20080015382-A1 HYDROCYANATION PROCESS WITH REDUCED YIELD LOSSES INVISTA NORTH AMERICA S.A R.L. (US) 2008-01-17 US disclosed
WO-2008008930-A2 HYDROCYANATION PROCESS WITH REDUCED YIELD LOSSES INVISTA TECHNOLOGIES S.A R.L. (CH) 2008-01-17 WO disclosed
US-20080015381-A1 HYDROCYANATION PROCESS WITH REDUCED YIELD LOSSES INVISTA NORTH AMERICA S.A R.L. (US) 2008-01-17 US 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 (6 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 1914/4885GABRA1 1662/4885
US-20090182164-A1 HYDROCYANATION OF PENTENENITRILES NCSTN, PNN, IDH3A MEN1 866/4885KMT2A 2644/4885GABRA1 4685/4885
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 1879/4885GABRA1 1661/4885
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 1953/4885GABRA1 1724/4885
US-20080015382-A1 HYDROCYANATION PROCESS WITH REDUCED YIELD LOSSES PNN, FABP4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MEN1 541/4885KMT2A 1825/4885GABRA1 4531/4885
US-20080015381-A1 HYDROCYANATION PROCESS WITH REDUCED YIELD LOSSES PNN, NIT2, NOX4 MEN1 598/4885KMT2A 1986/4885GABRA1 3688/4885

“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.