SCHEMBL714677

SCHEMBL714677

CCCCCCCCN(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
BCHE P06276 8/20 0.36
ACHE P22303 8/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
LMNA P02545 1/20 0.36
DNM1 Q05193 1/20 0.35
TSHR P16473 1/20 0.35
GHSR Q92847 1/20 0.35

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
SCHEMBL5295527 1.00 KCNH2 (0.43) KCNH2HDAC3HDAC1HDAC2MEN1
SCHEMBL10180717 0.93 RAB9A (0.43) KCNH2HDAC3HDAC1HDAC2MEN1
SCHEMBL28574910 0.86 MEN1 (0.43) KCNH2HDAC3HDAC1HDAC2MEN1
SCHEMBL8623193 0.84 CNR2 (0.53)
SCHEMBL8623189 0.83 SHBG (0.44) SMN1; SMN2
SCHEMBL17517232 0.82 KIF11 (0.38) KCNH2HDAC3HDAC1HDAC2MEN1
SCHEMBL17517231 0.80 DYRK1A (0.39) MAPT
SCHEMBL11342192 0.79 MCHR1 (0.49) KCNH2ALDH1A1DNM1TSHR
SCHEMBL11331999 0.79 MCHR1 (0.49) KCNH2ALDH1A1DNM1TSHR
SCHEMBL25557822 0.77 MAPT (0.44) KCNH2HDAC3HDAC1HDAC2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354529-B2 Polyamine derivative and polyol derivative BASF SE (DE) 2013-01-15 US disclosed
EP-2511274-A2 Polyamine derivative BASF SE (DE) 2012-10-17 EP disclosed
EP-2484677-A1 Polyamine derivative BASF SE (DE) 2012-08-08 EP disclosed
US-20120053270-A1 POLYAMINE DERIVATIVE AND POLYOL DERIVATIVE MITA NARUYOSHI (JP) 2012-03-01 US disclosed
US-8076478-B2 Stabilizer; photostability, heat resistance, ozone resistance, oxidation resistance, electromagnetic resistance BASF SE (DE) 2011-12-13 US disclosed
US-20110213077-A1 Hydroquinone-containing polyesters having improved whiteness SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2011-09-01 US disclosed
US-20110204407-A1 Power LED device with a reflector made of aromatic polyester and/or wholly aromatic polyester SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2011-08-25 US disclosed
EP-2342255-A1 HYDROQUINONE-CONTAINING POLYESTERS HAVING IMPROVED WHITENESS Solvay Advanced Polymers, L.L.C. (US) 2011-07-13 EP disclosed
EP-2342766-A1 POWER LED DEVICE WITH A REFLECTOR MADE OF AROMATIC POLYESTER AND/OR WHOLLY AROMATIC POLYESTER Solvay Advanced Polymers, L.L.C. (US) 2011-07-13 EP disclosed
WO-2010049531-A1 POWER LED DEVICE WITH A REFLECTOR MADE OF AROMATIC POLYESTER AND/OR WHOLLY AROMATIC POLYESTER SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2010-05-06 WO disclosed
WO-2010049526-A1 HYDROQUINONE-CONTAINING POLYESTERS HAVING IMPROVED WHITENESS SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2010-05-06 WO disclosed
EP-1498442-B1 Method for the preparation of a polyester block copolymer composition DAICEL CHEM (JP) 2009-02-11 EP disclosed
US-20080230743-A1 Polyamine Derivative and Polyol Derivative CIBA CORPORATION 2008-09-25 US disclosed
EP-1840127-A1 POLYAMINE DERIVATIVE AND POLYOL DERIVATIVE Ciba Specialty Chemicals Holding Inc. (CH) 2007-10-03 EP disclosed
US-7196123-B2 Polyester block copolymer composition and process for the preparation thereof WATANABE JUN 2007-03-27 US disclosed
EP-1498442-A2 Method for the preparation of a polyester block copolymer, a polyester block copolymer composition and method for the preparation thereof Daicel Chemical Industries, Ltd. (JP) 2005-01-19 EP disclosed
US-20040010092-A1 Method for the preparation of a polyester block copolymer, a polyester block copolymer composition and method for the preparation thereof WATANABE JUN (JP) 2004-01-15 US disclosed
US-6593434-B1 Condensation polymerization, esterification, melt mixing or kneading; high molecular weight, low crystallinity DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-15 US disclosed
EP-1120432-A1 PROCESS FOR THE PRODUCTION OF POLYESTER BLOCK COPOLYMERS, POLYESTER BLOCK COPOLYMER COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF DAICEL CHEMICAL INDUSTRIES, Ltd. (JP) 2001-08-01 EP 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 (2 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-20120053270-A1 POLYAMINE DERIVATIVE AND POLYOL DERIVATIVE H1-0, H1-3, NPM1 KCNH2 335/4885HDAC3 1285/4885HDAC1 1190/4885
US-20080230743-A1 Polyamine Derivative and Polyol Derivative H1-0, H1-3, H1-2 KCNH2 141/4885HDAC3 2091/4885HDAC1 1516/4885

“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.