SCHEMBL701442

SCHEMBL701442

CN(C)c1ccccc1-c1[c]cccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NSD2 O96028 1/20 0.39
EGFR P00533 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CHEK1 O14757 1/20 0.34
NEK2 P51955 1/20 0.34
LIMK1 P53667 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
PDK2 Q15119 1/20 0.33
MEN1 O00255 2/20 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
SCHEMBL2761711 0.78 MEN1 (0.32) MAPTALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL9128991 0.76 MAPT (0.39) MAPTALDH1A1L3MBTL1NSD2EGFR
SCHEMBL8855149 0.75 MEN1 (0.35) MAPTALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL322239 0.75 MEN1 (0.35) MAPTALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL2919461 0.75 MAPT (0.52) MAPTALDH1A1L3MBTL1NSD2EGFR
SCHEMBL10437518 0.74 GPR3 (0.35) MAPTALDH1A1L3MBTL1NSD2EGFR
SCHEMBL6716159 0.73 RUNX1 (0.34) MAPTALDH1A1NSD2GAATP53
SCHEMBL981109 0.72 TSHR (0.39) MAPTALDH1A1TDP1GAATSHR
SCHEMBL3749658 0.72 CYP1A2 (0.42) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL3754783 0.72 MAPT (0.36) MAPTALDH1A1L3MBTL1NSD2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1688424-B1 PHOSPHONIUM BORATE COMPOUND AND METHOD OF USING THE SAME HOKKO CHEM IND CO (JP) 2016-01-13 EP claimed
US-20170267836-A1 Process For Preparing Ethylenedialkylphosphinic Acids, Esters And Salts And Use Thereof CLARIANT PLASTICS & COATINGS LTD (CH) 2017-09-21 US disclosed
EP-3197895-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-08-02 EP disclosed
EP-2379575-B1 HYDROPHOSPHORYLATION OF PHOSPHONIC ACID DERIVATIVES TO YIELD FLAME RETARDANTS CLARIANT INT LTD (CH) 2017-04-12 EP disclosed
WO-2016046241-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-31 WO disclosed
US-9279085-B2 Method for the production of monofunctionalized dialkylphosphinic acids, esters and salts, and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2016-03-08 US disclosed
EP-1688424-B1 PHOSPHONIUM BORATE COMPOUND AND METHOD OF USING THE SAME HOKKO CHEM IND CO (JP) 2016-01-13 EP disclosed
EP-2379572-B1 METHOD FOR THE PRODUCTION OF MONOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS, AND SALTS, AND USE THEREOF CLARIANT INT LTD (CH) 2015-12-23 EP disclosed
US-9181487-B2 Process for preparing ethylenedialkylphosphinic acids, esters and salts by means of acetylene and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-11-10 US disclosed
US-9139714-B2 Method for producing dialkylphosphinic acids and esters and salts thereof by means of allyl alcohols-acroleins and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-09-22 US disclosed
US-20070098616-A1 Process for producing phosponium borate compound, novel phosphonium borate compound, and method of using the same HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2007-05-03 US disclosed
EP-1688424-A1 PROCESS FOR PRODUCING PHOSPHONIUM BORATE COMPOUND, NOVEL PHOSPHONIUM BORATE COMPOUND, AND METHOD OF USING THE SAME HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 2006-08-09 EP disclosed
US-20060020148-A1 Process for producing tertiary phosphine having bulky hydrocarbon group bonded HOLLO CHEMICAL INDUSTRY CO., LTD (JP) 2006-01-26 US disclosed
CN-1628122-A Process for producing tertiary phosphine having bulky hydrocarbon group bonded HOKKO CHEM IND CO (JP) 2005-06-15 CN disclosed
EP-1473297-A1 PROCESS FOR PRODUCING TERTIARY PHOSPHINE HAVING BULKY HYDROCARBON GROUP BONDED HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 2004-11-03 EP disclosed
US-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 US disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 EP disclosed
US-4341894-A 2,4,6 TRI-SUBSTITUTED PYRYLIUM DYE SALTS EASTMAN KODAK COMPANY (US) 1982-07-27 US disclosed
US-4167412-A COMPRISING A PYRYLIUM OR THIOPYRYLIUM SALT EASTMAN KODAK COMPANY (US) 1979-09-11 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-20060020148-A1 Process for producing tertiary phosphine having bulky hydrocarbon group bonded HRH3, HRH4, HRH1 MAPT 4358/4885ALDH1A1 1764/4885L3MBTL1 682/4885
US-20170267836-A1 Process For Preparing Ethylenedialkylphosphinic Acids, Esters And Salts And Use Thereof ENPP1, ENPP3, FADS2 MAPT 3964/4885ALDH1A1 983/4885L3MBTL1 4533/4885
US-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 MAPT 4838/4885ALDH1A1 3508/4885L3MBTL1 1431/4885

“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.