SCHEMBL6877796

SCHEMBL6877796

CN(c1ccccc1)c1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.47
ALDH1A1 P00352 3/20 0.39
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
EGFR P00533 1/20 0.39
FYN P06241 1/20 0.39
POLB P06746 1/20 0.39
CA3 P07451 1/20 0.39
CYP3A4 P08684 1/20 0.39
MMP9 P14780 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39

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
Bromide SCHEMBL10436173 0.98 CXCR2 (0.46) CXCR2ALDH1A1CA12CA2LMNA
SCHEMBL18157920 0.85 CXCR2 (0.49) CXCR2ALDH1A1CA12CA2LMNA
SCHEMBL6878929 0.85 ALDH1A1 (0.43) CXCR2ALDH1A1CA12CA2LMNA
SCHEMBL7155151 0.83 MEN1 (0.46) ALDH1A1CA12CA2LMNASMN1; SMN2
SCHEMBL6875951 0.81 ACHE (0.41) CXCR2ALDH1A1LMNANPC1MAPT
SCHEMBL27502154 0.79 ABAT (0.41) CXCR2ALDH1A1NPC1MAPTRAB9A
SCHEMBL30946526 0.78 CA12 (0.39) CXCR2ALDH1A1CA12CA2LMNA
SCHEMBL21147112 0.78 TRPA1 (0.43) CXCR2CA12LMNANPC1MAPT
SCHEMBL3261175 0.77 CHKA (0.51) ALDH1A1CA2LMNAL3MBTL1MAPT
SCHEMBL184114 0.76 ALDH1A1 (0.43) CXCR2ALDH1A1CA12CA2LMNA

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-0375668-A2 Phenylethylamines, process for their preparation and compositions containing them FISONS plc (GB) 1990-06-27 EP claimed
US-20170305945-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP 2017-10-26 US disclosed
CN-100357258-C Production of keto acids CIBA SC HOLDING AG (CH) 2007-12-26 CN disclosed
CN-1301962-C Production of keto acids CIBA SC HOLDING AG (CH) 2007-02-28 CN disclosed
CN-1575274-A Production of keto acids CIBA SC HOLDING AG (CH) 2005-02-02 CN disclosed
US-20040242891-A1 Production of keto acids CAMPBELL JONATHAN (GB) 2004-12-02 US disclosed
EP-1442009-A1 PRODUCTION OF KETO ACIDS Ciba SC Holding AG (CH) 2004-08-04 EP disclosed
US-6635602-B1 Heat sensitive and pressure sensitive recording material; synthesised directly by the reaction of two derivatives of amino phenols, phthalic anhydrides, keto acids and/or diphenylamines with a phenol derivative CIBA SPECIALTY CHEMICALS CORPORATION 2003-10-21 US disclosed
US-6566302-B1 For use in heat sensitive and pressure sensitive recording materials CIBA SPECIALTY CHEMICALS CORPORATION 2003-05-20 US disclosed
WO-2003037846-A1 PRODUCTION OF KETO ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-08 WO disclosed
EP-0853079-B1 Production of keto acids CIBA SC HOLDING AG (CH) 2002-06-05 EP disclosed
EP-1115579-A1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION Ciba SC Holding AG (CH) 2001-07-18 EP disclosed
EP-1107972-A1 PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN Ciba SC Holding AG (CH) 2001-06-20 EP disclosed
WO-2000026037-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-05-11 WO disclosed
WO-2000012318-A1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-09 WO disclosed
WO-2000012513-A1 NOVEL PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-09 WO disclosed
US-5925787-A Production of keto acids CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-07-20 US disclosed
CN-1197062-A Production of keto acids CIBA SC HOLDING AG (CH) 1998-10-28 CN disclosed
EP-0853079-A1 Production of keto acids Ciba SC Holding AG (CH) 1998-07-15 EP disclosed
EP-0375668-A2 Phenylethylamines, process for their preparation and compositions containing them FISONS plc (GB) 1990-06-27 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 (2 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-20040242891-A1 Production of keto acids PKLR, KHK, ME1 CXCR2 1944/4885ALDH1A1 1103/4885CA12 373/4885
US-20170305945-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 CXCR2 2789/4885ALDH1A1 4849/4885CA12 1444/4885

“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.