SCHEMBL5834041

SCHEMBL5834041

CC(C)(c1ccccc1)c1cc(CCC(=O)O)cc(-n2nc3ccc(Cl)cc3n2)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
MAOB P27338 3/20 0.35
MAOA P21397 2/20 0.35
TBXAS1 P24557 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
ACHE P22303 1/20 0.34
FFAR1 O14842 4/20 0.33
FFAR4 Q5NUL3 3/20 0.33
TP53 P04637 2/20 0.33
MDM2 Q00987 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
KMO O15229 1/20 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
SCHEMBL13714983 0.93 NPC1 (0.35) KDM4EALDH1A1NPC1RAB9AALOX15
SCHEMBL5835062 0.91 KDM4E (0.42) KDM4EALDH1A1NPC1RAB9AALOX15
SCHEMBL13957556 0.90 NPC1 (0.33) NPC1RAB9AALOX15MAPK1MAOB
SCHEMBL101259 0.89 MAOB (0.40) KDM4EALDH1A1NPC1RAB9AMAOB
SCHEMBL29365566 0.89 MAOB (0.40) KDM4EALDH1A1NPC1RAB9AMAOB
SCHEMBL13958136 0.89 NPC1 (0.32) NPC1RAB9AALOX15MAPK1MAOB
SCHEMBL5833949 0.89 NPC1 (0.34) NPC1RAB9AMAPK1MAOBMAOA
SCHEMBL7778894 0.89 MAOB (0.33) KDM4EALDH1A1NPC1RAB9AMAOB
SCHEMBL5834826 0.89 FFAR4 (0.34) ALDH1A1NPC1RAB9AMAOBMAOA
SCHEMBL16182319 0.88 FFAR1 (0.39) FFAR1FFAR4THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074906-B2 Organic solvent-free process for the preparation of 2-(2-nitrophenylazo)phenols CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-07-11 US disclosed
US-20050053562-A1 Organic solvent-free process for the preparation of 2-(2-nitrophenylazo)phenols CIBA SPECIALTY CHEMICALS CORP. 2005-03-10 US disclosed
US-6815550-B2 DIAZOTIZING A 5-PERFLUOROALKYL-O-NITROANILINE WITH SULFURIC ACID AND ALKALI METAL NITRITE OR NITROSYLSULFURIC ACID; COUPLING WITH A PHENOL; AND REDUCING THE MONOAZOBENZENE INTERMEDIATE TO THE CORRESPONDING 2H-BENZOTRIAZOLE CIBA SPECIALTY CHEMICALS CORPORATION 2004-11-09 US disclosed
EP-1451254-A1 ORGANIC SOLVENT-FREE PROCESS FOR THE PREPARATION OF 2-(2-NITROPHENYLAZO)PHENOLS Ciba SC Holding AG (CH) 2004-09-01 EP disclosed
US-6605727-B2 Processes for the preparation of benzotriazole UV absorbers CIBA SPECIALTY CHEMICALS CORPORATION 2003-08-12 US disclosed
US-20030130524-A1 Processes for the preparation of benzotriazole UV absorbers WOOD MERVIN G (US) 2003-07-10 US disclosed
US-20030120083-A1 Processes for the preparation of benzotriazole UV absorbers WOOD MERVIN G (US) 2003-06-26 US disclosed
WO-2003048257-A1 ORGANIC SOLVENT-FREE PROCESS FOR THE PREPARATION OF 2-(2-NITROPHENYLAZO)PHENOLS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-06-12 WO disclosed
US-6566507-B2 Processes for the preparation of benzotriazole UV absorbers CIBA SPECIALTY CHEMICALS CORPORATION 2003-05-20 US disclosed
EP-1305298-A2 PROCESSES FOR THE PREPARATION OF BENZOTRIAZOLE UV ABSORBERS Ciba SC Holding AG (CH) 2003-05-02 EP disclosed
US-20020035175-A1 Processes for the preparation of benzotriazole UV absorbers CIBA SPECIALTY CHEMICALS CORP. 2002-03-21 US disclosed
WO-2002012202-A2 PROCESSES FOR THE PREPARATION OF BENZOTRIAZOLE UV ABSORBERS CIBA SPECIALTY CHEMICALS HOLDINGS INC. (CH) 2002-02-14 WO disclosed
EP-1144391-A1 ONE-POT PROCESS FOR THE PREPARATION OF 5-SULFONYL-SUBSTITUTED BENZOTRIAZOLES Ciba SC Holding AG (CH) 2001-10-17 EP disclosed
WO-2000043376-A1 ONE-POT PROCESS FOR THE PREPARATION OF 5-SULFONYL-SUBSTITUTED BENZOTRIAZOLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-07-27 WO disclosed
US-6040455-A REACTING A HALOBENZOTRIAZOLE COMPOUND WITH ALIPHATIC, PHENYLALKYL OR ARYL MERCAPTAN COMPOUND TO FORM 5-THIO SUBSTITUTED BENZOTRIAZOLE, OXIDIZING WITH HYDROGEN PEROXIDE TO FOR 5-SULFONE SUBSTITUED BENZOTRIAZOLE COMPOUND CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-03-21 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 (4 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-20020035175-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH KDM4E 1213/4885ALDH1A1 858/4885NPC1 1521/4885
US-20050053562-A1 Organic solvent-free process for the preparation of 2-(2-nitrophenylazo)phenols HPD, CYP8B1, CYP3A4 KDM4E 901/4885ALDH1A1 1573/4885NPC1 652/4885
US-20030120083-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH KDM4E 1213/4885ALDH1A1 858/4885NPC1 1521/4885
US-20030130524-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH KDM4E 1213/4885ALDH1A1 858/4885NPC1 1521/4885

“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.