SCHEMBL2774409

SCHEMBL2774409

CC(=O)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
GAA P10253 5/20 0.53
TSHR P16473 3/20 0.53
LMNA P02545 3/20 0.53
KMT2A Q03164 4/20 0.53
MAPK1 P28482 3/20 0.53
MEN1 O00255 3/20 0.53
MAPT P10636 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
BLM P54132 2/20 0.53
ATM Q13315 2/20 0.53
HIF1A Q16665 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
USP2 O75604 1/20 0.53
CYP2D6 P10635 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
GMNN O75496 1/20 0.52
GABBR2 O75899 1/20 0.52
TP53 P04637 1/20 0.52

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
Hydrazine SCHEMBL29155863 0.96 GAA (0.53) ALDH1A1GAATSHRLMNAKMT2A
SCHEMBL28508904 0.84 GAA (0.61) ALDH1A1GAATSHRLMNAKMT2A
SCHEMBL9194052 0.84 ALDH1A1 (0.53) ALDH1A1GAATSHRLMNAKMT2A
SCHEMBL38555 0.84 ALDH1A1 (0.53) ALDH1A1GAATSHRLMNAKMT2A
SCHEMBL11308767 0.83 ALDH1A1 (0.57) ALDH1A1GAATSHRLMNAKMT2A
SCHEMBL9519034 0.82 GAA (0.54) ALDH1A1GAATSHRLMNAKMT2A
SCHEMBL6965645 0.82 ALDH1A1 (0.55) ALDH1A1GAATSHRLMNAKMT2A
SCHEMBL9014505 0.82 ALDH1A1 (0.52) ALDH1A1GAATSHRLMNAKMT2A
SCHEMBL8310747 0.82 ALDH1A1 (0.56) ALDH1A1GAATSHRLMNAKMT2A
Ammonia Solution, Strong SCHEMBL3948778 0.82 ALDH1A1 (0.52) ALDH1A1GAATSHRLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108700689-A Synthetic resin laminated body with photochromic characteristic and use its lens 三菱瓦斯化学株式会社 2018-10-23 CN disclosed
CN-103842432-B Radical polymerization type acrylic resin composition, water-repellent material composition, laminate, and method for producing same 三菱化学株式会社 2018-03-16 CN disclosed
CN-107463076-A Image forming apparatus 富士施乐株式会社 2017-12-12 CN disclosed
CN-103168080-B Curable composition CEMEDINE CO.,LTD. (JP) 2015-10-21 CN disclosed
CN-104945861-A Polyester resin composition MITSUBISHI CHEM CORP 2015-09-30 CN disclosed
CN-104903406-A Resin composition, triazole compound, optical film, polarizing plate, optical lens, circularly polarizing plate, and image display device KONICA MINOLTA INC 2015-09-09 CN disclosed
CN-103339195-B Polyester resin composition MITSUBISHI CHEMICAL CORP. (JP) 2015-08-12 CN disclosed
CN-102300925-B Curable composition CEMEDINE CO LTD 2014-06-18 CN disclosed
CN-103339195-A Polyester resin composition MITSUBISHI CHEM CORP 2013-10-02 CN disclosed
US-20120252931-A1 STABILIZER COMPOSITION FOR FILLED POLYMERS AND NANOCOMPOSITES BASF SE (DE) 2012-10-04 US disclosed
US-7232812-B2 Substituted azetidine compounds, their preparation and use as medicaments LABORATORIOS DE DR. ESTEVE S.A. (ES) 2007-06-19 US disclosed
US-7232812-B2 Substituted azetidine compounds, their preparation and use as medicaments LABORATORIOS DE DR. ESTEVE S.A. (ES) 2007-06-19 US disclosed
US-20070093469-A1 Substituted azetidine compounds as cyclooxygenase-1-cyclooxygenase-2 inhibitors, and their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A (ES) 2007-04-26 US disclosed
US-20070093469-A1 Substituted azetidine compounds as cyclooxygenase-1-cyclooxygenase-2 inhibitors, and their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A (ES) 2007-04-26 US disclosed
EP-1379514-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-01-14 EP disclosed
WO-2002083656-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND USE THEREOF AS MAO INHIBITORS AND LIPID PEROXIDATION INHIBITORS, PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-10-24 WO disclosed
EP-0276805-B1 Substituted 3-phenyl-7H-thiazolo[3,2-b][1,2,4]triazin-7-ones, processes for their preparation, medicaments containing them and their use as well as some of the intermediates obtained during the preparation of said compounds HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-17 EP disclosed
EP-0280868-B1 IMIDAZO- AND TRIAZOLOTHIADIAZINES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND THEIR USE AS WELL AS SOME OF THE INTERMEDIATES OBTAINED DURING THE PREPARATION OF SAID COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1992-06-17 EP disclosed
EP-0280868-A2 Imidazo- and triazolothiadiazines, process for their preparation, medicaments containing them and their use as well as some of the intermediates obtained during the preparation of said compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-09-07 EP disclosed
EP-0276805-A2 Substituted 3-phenyl-7H-thiazolo[3,2-b][1,2,4]triazin-7-ones, processes for their preparation, medicaments containing them and their use as well as some of the intermediates obtained during the preparation of said compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-03 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 (1 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-20070093469-A1 Substituted azetidine compounds as cyclooxygenase-1-cyclooxygenase-2 inhibitors, and their preparation and use as medicaments PTGS1, PTGS2, PTGES2 ALDH1A1 52/4885GAA 614/4885TSHR 4185/4885

“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.