SCHEMBL33341

SCHEMBL33341

C=Cc1ccc(C(=O)OC(=O)/C=C\C(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 1/20 0.37
HCAR2 Q8TDS4 5/20 0.37
THRB P10828 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SRD5A2 P31213 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 1/20 0.34
AKR1B10 O60218 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34

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
SCHEMBL9300608 0.88 ALDH1A1 (0.45) ALDH1A1MAPTKMT2AHCAR2THRB
SCHEMBL6293590 0.83 ALDH1A1 (0.40) ALDH1A1MAPTKMT2ALMNANPSR1
SCHEMBL28733839 0.82 ALDH1A1 (0.42) ALDH1A1MAPTKMT2ATHRBLMNA
SCHEMBL440528 0.82 ALDH1A1 (0.50) ALDH1A1MAPTKMT2ALMNATAS1R3
Styrene SCHEMBL9350396 0.81 ALDH1A1 (0.52) ALDH1A1MAPTKMT2AHCAR2LMNA
Styrene SCHEMBL9142044 0.81 ALDH1A1 (0.52) ALDH1A1MAPTKMT2AHCAR2LMNA
SCHEMBL27590291 0.81 MAPT (0.58) ALDH1A1MAPTKMT2AHCAR2THRB
SCHEMBL3235668 0.80 HCAR2 (0.50) ALDH1A1MAPTKMT2AHCAR2LMNA
SCHEMBL15563736 0.80 HCAR2 (0.50) ALDH1A1MAPTKMT2AHCAR2LMNA
Hydrochloric Acid SCHEMBL9497409 0.79 HCAR2 (0.49) ALDH1A1MAPTKMT2AHCAR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973587-A2 METHODS AND SYSTEMS FOR PREPARING ANTIMICROBIAL FILMS AND COATINGS Allaccem, Inc. (US) 2008-10-01 EP claimed
WO-2007070801-A2 METHODS AND SYSTEMS FOR PREPARING ANTIMICROBIAL FILMS AND COATINGS ALLACCEM, INC. (US) 2007-06-21 WO claimed
US-6326417-B1 CONTAINING SALICYLIC ACID COMPOUND AS MICROBIOCIDES JENERIC/PENTRON INCORPORATED 2001-12-04 US claimed
EP-1973587-B1 METHODS AND SYSTEMS FOR PREPARING ANTIMICROBIAL FILMS AND COATINGS ALLACCEM INC (US) 2019-02-06 EP disclosed
US-9994444-B2 Bridged polycyclic compound based compositions for the inhibition and amelioration of disease ALLACCEM, INC. (US) 2018-06-12 US disclosed
US-9957395-B2 Methods and systems for coating a medical device ALLACCEM, INC. (US) 2018-05-01 US disclosed
US-9212286-B2 Methods and systems for coating a surface ALLACCEM, INC. (US) 2015-12-15 US disclosed
EP-2125026-B1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE ALLACCEM INC (US) 2014-09-24 EP disclosed
US-20130150809-A1 METHODS AND SYSTEMS FOR COATING A MEDICAL DEVICE ALLACCEM, INC. 2013-06-13 US disclosed
US-20130040924-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE ALLACCEM, INC. (US) 2013-02-14 US disclosed
US-8268381-B2 Methods and systems for coating a medical device ALLACCEM, INC. (US) 2012-09-18 US disclosed
US-20080275141-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE ALLACCEM, INC. 2008-11-06 US disclosed
EP-1973587-A2 METHODS AND SYSTEMS FOR PREPARING ANTIMICROBIAL FILMS AND COATINGS Allaccem, Inc. (US) 2008-10-01 EP disclosed
WO-2008103847-A2 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE ALLACCEM, INCORPORATED (US) 2008-08-28 WO disclosed
US-20080207581-A1 Applying to a surface one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning ALLACCEM, INC. 2008-08-28 US disclosed
US-20080020127-A1 Methods and systems for coating a medical device ALLACCEM, INC. 2008-01-24 US disclosed
US-20080021212-A1 Methods and systems for preparing an antimicrobial composition ALLACCEM, INC. 2008-01-24 US disclosed
US-20070202342-A1 Applying to an oral surface (teeth or gums)one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning; dentistry; bonding agents, resin cements, sealants ALLACCEM, INC. 2007-08-30 US disclosed
WO-2007070801-A2 METHODS AND SYSTEMS FOR PREPARING ANTIMICROBIAL FILMS AND COATINGS ALLACCEM, INC. (US) 2007-06-21 WO disclosed
US-6326417-B1 CONTAINING SALICYLIC ACID COMPOUND AS MICROBIOCIDES JENERIC/PENTRON INCORPORATED 2001-12-04 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-20080021212-A1 Methods and systems for preparing an antimicrobial composition DNMT1, TET2, POLR1C ALDH1A1 2775/4885MAPT 4603/4885KMT2A 1094/4885
US-20130040924-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE PKD1, VHL, PKD2 ALDH1A1 1058/4885MAPT 1400/4885KMT2A 2822/4885
US-20080207581-A1 Applying to a surface one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning DNMT1, TET2, CD14 ALDH1A1 2261/4885MAPT 4796/4885KMT2A 1123/4885
US-20080275141-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE PKD1, VHL, PKD2 ALDH1A1 1058/4885MAPT 1400/4885KMT2A 2822/4885

“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.