SCHEMBL243378

SCHEMBL243378

Cc1cc(C)c(C2OCCCO2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.36
HPGD P15428 3/20 0.33
MEN1 O00255 1/20 0.33
GAPDH P04406 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31

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
SCHEMBL1661862 0.83 HPGD (0.37) HPGD
SCHEMBL13262184 0.76 HPGD (0.34) HPGDPOLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL10561767 0.74 HPGD (0.33) HPGD
SCHEMBL29024104 0.74 RAPGEF4 (0.38) MEN1GAPDHPOLBKMT2ATDP1
SCHEMBL3267498 0.71 MAOA (0.34) NPC1
SCHEMBL13385205 0.70 RAPGEF4 (0.35) UGT2B17MEN1GAPDHPOLBKMT2A
SCHEMBL13685032 0.70 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2HTR7HTR2BTMEM97
SCHEMBL29923274 0.70 HTR2A (0.32) HTR2B
SCHEMBL3458160 0.69 ALDH1A1 (0.34) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1859517 0.67 HTT (0.34) HPGDPOLBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140227201-A1 Antimicrobial Gel Formulations NOVABAY PHARMACEUTICALS, INC. 2014-08-14 US claimed
JP-2012500209-A 2012-01-05 JP claimed
CN-102176818-A Antimicrobial gel formulations NOVABAY PHARMACEUTICALS INC 2011-09-07 CN claimed
EP-2312939-A1 ANTIMICROBIAL GEL FORMULATIONS NovaBay Pharmaceuticals, Inc. (US) 2011-04-27 EP claimed
US-20100076089-A1 ANTIMICROBIAL GEL FORMULATIONS NOVABAY PHARMACEUTICALS, INC. 2010-03-25 US claimed
WO-2010019723-A1 ANTIMICROBIAL GEL FORMULATIONS NOVABAY PHARMACEUTICALS, INC. (US) 2010-02-18 WO claimed
EP-1021511-A1 STABLE FRAGRANCES FOR BLEACHING COMPOUNDS Bush Boake Allen Inc. (US) 2000-07-26 EP claimed
US-5972864-A BLEACHING BLOCK; MIXTURE OF BLEACH AND ORGANOLEPTIC COMPOUND LONZA INC. (US) 1999-10-26 US claimed
US-5942153-A A SHAPED STABLE BLOCK COMPRISING AN ORGANOLEPTIC FRAGRANT AGENT AND BLEACHING AGENT; FRAGRANT AGENT DOES NOT DECOMPOSE THE BLEACHING AGENT, NOT HYGROSCOPIC; USE IN VENTILATING HOOD AS PROTECTIVE GLOVES, A DUST MASK, AND GOGGLES BUSH BOAKE ALLEN INC. (US) 1999-08-24 US claimed
WO-1998006804-A1 STABLE FRAGRANCES FOR BLEACHING COMPOUNDS BUSH BOAKE ALLEN INC. (US) 1998-02-19 WO claimed
US-20140227201-A1 Antimicrobial Gel Formulations NOVABAY PHARMACEUTICALS, INC. 2014-08-14 US disclosed
EP-2531026-A1 POLYSACCHARIDE BASED ANTIMICROBIAL FORMULATIONS NovaBay Pharmaceuticals, Inc. (US) 2012-12-12 EP disclosed
CN-102176818-A Antimicrobial gel formulations NOVABAY PHARMACEUTICALS INC 2011-09-07 CN disclosed
WO-2011097324-A1 POLYSACCHARIDE BASED ANTIMICROBIAL FORMULATIONS NOVABAY PHARMACEUTICALS, INC. (US) 2011-08-11 WO disclosed
US-20110190392-A1 Polysaccharide Based Antimicrobial Formulations NOVABAY PHARMACEUTICALS, INC. 2011-08-04 US disclosed
EP-0966517-A1 BLEACHING AND CLEANING COMPOSITIONS CONTAINING FRAGRANCES LONZA INC. (US) 1999-12-29 EP disclosed
US-5972864-A BLEACHING BLOCK; MIXTURE OF BLEACH AND ORGANOLEPTIC COMPOUND LONZA INC. (US) 1999-10-26 US disclosed
US-5942153-A A SHAPED STABLE BLOCK COMPRISING AN ORGANOLEPTIC FRAGRANT AGENT AND BLEACHING AGENT; FRAGRANT AGENT DOES NOT DECOMPOSE THE BLEACHING AGENT, NOT HYGROSCOPIC; USE IN VENTILATING HOOD AS PROTECTIVE GLOVES, A DUST MASK, AND GOGGLES BUSH BOAKE ALLEN INC. (US) 1999-08-24 US disclosed
WO-1998036049-A1 BLEACHING AND CLEANING COMPOSITIONS CONTAINING FRAGRANCES LONZA INC. (US) 1998-08-20 WO disclosed
WO-1998006804-A1 STABLE FRAGRANCES FOR BLEACHING COMPOUNDS BUSH BOAKE ALLEN INC. (US) 1998-02-19 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-20140227201-A1 Antimicrobial Gel Formulations CUTA, TUBA3C, POLR1C UGT2B17 606/4885HPGD 649/4885MEN1 2115/4885
US-20100076089-A1 ANTIMICROBIAL GEL FORMULATIONS CUTA, TUBA3C, POLR1C UGT2B17 606/4885HPGD 649/4885MEN1 2115/4885
US-20110190392-A1 Polysaccharide Based Antimicrobial Formulations FUT6, FUT5, OGT UGT2B17 294/4885HPGD 3301/4885MEN1 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.