Sugi Predict

Sugi Predict / Compounds / SCHEMBL903883

SCHEMBL903883

SCHEMBL903883

c1ccc(COCCOc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.58
▸ KCNA3 P22001 1/20 0.56
▸ HTR1A P08908 1/20 0.51
▸ ADRA1D P25100 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ ADRA1B P35368 1/20 0.51
▸ DRD4 P21917 2/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ PTGS2 P35354 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ FOXM1 Q08050 1/20 0.49

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
SCHEMBL9478520 0.96 KCNA3 (0.56) TSHRKCNA3HTR1AADRA1DADRA1A
SCHEMBL16594362 0.94 TSHR (0.56) TSHRLMNACYP1A2PTGS1SLC6A2
SCHEMBL5677947 0.92 LMNA (0.62) TSHRLMNACYP1A2PTGS1SLC6A2
SCHEMBL29066838 0.89 ALDH1A1 (0.60) TSHRKCNA3HTR1AADRA1DADRA1A
SCHEMBL3120643 0.88 TSHR (0.50) TSHRLMNACYP1A2PTGS1SLC6A2
SCHEMBL16594348 0.88 MAOB (0.56) TSHRADRA1DADRA1AADRA1BDRD4
SCHEMBL4756260 0.87 MAOB (0.70) TSHRLMNACYP1A2PTGS1SLC6A2
SCHEMBL9397994 0.87 DRD2 (0.51) TSHRKCNA3HTR1ADRD4FOXM1
SCHEMBL7635703 0.87 TSHR (0.48) TSHRLMNACYP1A2PTGS1SLC6A2
SCHEMBL7298666 0.87 KCNA3 (0.47) TSHRKCNA3HTR1AADRA1DADRA1A

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-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 — — EP claimed
CN-103492546-A Preparations for all-purpose cleaning compositions RHODIA POLIAMIDA E ESPECIALIDADES LTDA 2014-01-01 — — CN claimed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 — — US claimed
EP-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 — — EP claimed
EP-0727213-A2 Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-21 — — EP claimed
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 — — EP disclosed
CN-104958224-A Preparation method of traditional Chinese medicinal degreasing liquid shampoo FU XINGQIN 2015-10-07 — — CN disclosed
US-20150210643-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. 2015-07-30 — — US disclosed
CN-103492546-A Preparations for all-purpose cleaning compositions RHODIA POLIAMIDA E ESPECIALIDADES LTDA 2014-01-01 — — CN disclosed
CN-102459748-B Acrylic-fiber finish, acrylic fiber for carbon-fiber production, and carbon-fiber production method MATSUMOTO YUSHI SEIYAKU KK 2013-03-27 — — CN disclosed
CN-102459748-A Acrylic fiber finishing agent, acrylic fiber for carbon fiber preparation and carbon fiber preparation method MATSUMOTO YUSHI SEIYAKU KK 2012-05-16 — — CN disclosed
WO-2012041014-A1 TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION MERCK SHARP & DOHME CORP. (US) 2012-04-05 — — WO disclosed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 — — US disclosed
EP-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 — — EP disclosed
EP-1183224-B1 PROCESS FOR PREPARING ALKOXY OR ARYLMETHOXY AROXYETHANES APPLETON PAPER INC (US) 2004-08-04 — — EP disclosed
EP-1183224-A4 PROCESS FOR PREPARING ALKOXY OR ARYLMETHOXY AROXYETHANES APPLETON PAPER INC (US) 2003-02-26 — — EP disclosed
EP-1183224-A1 PROCESS FOR PREPARING ALKOXY OR ARYLMETHOXY AROXYETHANES Appleton Papers Inc. (GB) 2002-03-06 — — EP disclosed
US-20020002311-A1 Process for preparing alkoxy or arylmethoxy aroxyethanes APPLETON PAPERS INC. 2002-01-03 — — US disclosed
US-6323376-B1 REACTING SUBSTITUTED OR UNSUBSTITUTED PHENOLS OR NAPHTHOLS WITH ETHYLENE CARBONATE IN PRESENCE OF CATALYST SELECTED FROM METAL HALIDE, QUARTERNARY AMMONIUM HALIDE AND QUARTERNARY PHOSPHONIUM HALIDE; REACTING INTERMEDIATE ARALKYL HALIDE APPLETON PAPERS INC. 2001-11-27 — — US disclosed
WO-2001060775-A1 PROCESS FOR PREPARING ALKOXY OR ARYLMETHOXY AROXYETHANES APPLETON PAPERS INC. (US) 2001-08-23 — — WO 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-20020002311-A1 Process for preparing alkoxy or arylmethoxy aroxyethanes ARSA, PHYKPL, CCNY TSHR 3014/4885KCNA3 1772/4885HTR1A 2774/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 TSHR 977/4885KCNA3 418/4885HTR1A 3467/4885
US-20150210643-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C TSHR 388/4885KCNA3 1796/4885HTR1A 101/4885

“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.