SCHEMBL5834826

SCHEMBL5834826

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.34
TBXA2R P21731 2/20 0.34
MAOB P27338 3/20 0.33
MAOA P21397 2/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
FFAR1 O14842 3/20 0.33
RAB9A P51151 3/20 0.32
POLB P06746 1/20 0.32
ACHE P22303 1/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KCNN4 O15554 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 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
SCHEMBL16182319 0.90 FFAR1 (0.39) FFAR4FFAR1L3MBTL1RXRARXRB
SCHEMBL5834423 0.89 GAA (0.39) FFAR4TBXA2RMAOBMAOAFFAR1
SCHEMBL5834041 0.89 KDM4E (0.38) FFAR4MAOBMAOATP53MDM2
SCHEMBL5833949 0.89 NPC1 (0.34) MAOBMAOARAB9AACHENPC1
SCHEMBL7778894 0.89 MAOB (0.33) MAOBMAOAFFAR1RAB9APOLB
SCHEMBL13714980 0.84 ALDH1A1 (0.40) MAOBMAOARAB9APOLBACHE
SCHEMBL13715027 0.83 ALDH1A1 (0.34) MAOBMAOAFFAR1POLBALDH1A1
SCHEMBL7692453 0.83 NPC1 (0.38) MAOBMAOAFFAR1RAB9APOLB
SCHEMBL6861476 0.83 FFAR4 (0.37) FFAR4FFAR1
SCHEMBL29353849 0.82 NPC1 (0.37) TP53RAB9APOLBNPC1ALDH1A1

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 FFAR4 694/4885TBXA2R 1950/4885MAOB 511/4885
US-20050053562-A1 Organic solvent-free process for the preparation of 2-(2-nitrophenylazo)phenols HPD, CYP8B1, CYP3A4 FFAR4 934/4885TBXA2R 883/4885MAOB 467/4885
US-20030120083-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH FFAR4 694/4885TBXA2R 1950/4885MAOB 511/4885
US-20030130524-A1 Processes for the preparation of benzotriazole UV absorbers SULT1A1, SULT2A1, NISCH FFAR4 694/4885TBXA2R 1950/4885MAOB 511/4885

“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.