SCHEMBL216446

SCHEMBL216446

CC(C)c1cc2c(c(O)c1-c1c(C(C)C)cc3c(c1O)CCCC3)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GABRA1 P14867 5/20 0.41
GABRB1 P18505 4/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
GABRB2 P47870 3/20 0.36
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
FAAH O00519 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
GABRG2 P18507 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34

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
SCHEMBL216445 0.88 MEN1 (0.45) MEN1KMT2AGABRA1GABRB1CA1
SCHEMBL1044854 0.85 MEN1 (0.40) MEN1KMT2AGABRA1GABRB1CA1
SCHEMBL1044852 0.84 MEN1 (0.39) MEN1KMT2AGABRA1GABRB1CA1
SCHEMBL11092448 0.83 POLB (0.39) MEN1KMT2AGABRA1GABRB1CA1
SCHEMBL11084327 0.81 CA1 (0.41) MEN1KMT2AGABRA1GABRB1CA1
SCHEMBL1523966 0.79 MEN1 (0.54) MEN1KMT2AGABRA1GABRB1CA1
SCHEMBL19304039 0.78 GABRA1 (0.38) MEN1KMT2AGABRA1GABRB1CA1
SCHEMBL1048153 0.78 MEN1 (0.51) MEN1KMT2ACA1CA2HPGD
SCHEMBL19007386 0.72 GABRA1 (0.41) MEN1KMT2AGABRA1GABRB2CYP1A2
SCHEMBL1046672 0.72 MEN1 (0.42) MEN1KMT2AGABRA1CA1CA2

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.