SCHEMBL574298

SCHEMBL574298

CCCc1cc(Br)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 2/20 0.47
GFER P55789 1/20 0.47
ALOX15 P16050 2/20 0.46
HMGCR P04035 1/20 0.46
HPGD P15428 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP3A4 P08684 1/20 0.45
PKM P14618 1/20 0.45
HIF1A Q16665 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR1 P21554 1/20 0.44

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
SCHEMBL573894 0.88 TYR (0.52) ALOX5ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL573232 0.86 TYR (0.51) ALOX5ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL8401876 0.85 TYR (0.54) ALOX5ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL574556 0.85 TYR (0.54) ALOX5ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL15660887 0.83 TYR (0.50) ALOX5SMN1; SMN2TSHRALOX15HMGCR
SCHEMBL82273 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBTSHR
SCHEMBL30396162 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBTSHR
SCHEMBL2984802 0.81 TSHR (0.49) ALOX5ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL11717708 0.80 EDNRB (0.39) ALDH1A1SMN1; SMN2KDM4EPOLBTSHR
SCHEMBL26667643 0.78 HSP90AA1 (0.38) ALDH1A1SMN1; SMN2KDM4EPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135297-A1 AQUEOUS VOLATILE ORGANIC COMPOUND FREE DISINFECTANT AND/OR CLEANING COMPOSITION AND METHOD OF PREPARATION ISP INVESTMENTS INC. (US) 2014-05-15 US claimed
WO-2012170841-A1 AN AQUEOUS VOLATILE ORGANIC COMPOUND FREE DISINFECTANT AND/OR CLEANING COMPOSITION AND METHOD OF PREPARATION ISP INVESTMENTS INC. (US) 2012-12-13 WO claimed
EP-2313026-A1 ACTIVE DELIVERY SYSTEM FORMULATIONS Castle Beach, L.L.C. (US) 2011-04-27 EP claimed
US-20100040565-A1 ACTIVE DELIVERY SYSTEMS FORMULATIONS Castle Beach, LLC (US) 2010-02-18 US claimed
WO-2010019680-A1 ACTIVE DELIVERY SYSTEM FORMULATIONS HOMOLA ANDREW M (US) 2010-02-18 WO claimed
US-20090214606-A1 ANTIMICROBIAL POROUS SILICON OXIDE PARTICLES CIBA SPECIALTY CHEMICALS CORP. 2009-08-27 US claimed
EP-1549731-B1 CLEANING AND DISINFECTING COMPOSITION RECKITT BENCKISER INC (US) 2008-12-17 EP claimed
EP-1879457-A1 ANTIMICROBIAL POROUS SILICON OXIDE PARTICLES Ciba Specialty Chemicals Holding, Inc. (CH) 2008-01-23 EP claimed
US-20070231295-A1 Antimicrobial Silicon Oxide Flakes CIBA SPECIALTY CHEMICALS CORP. 2007-10-04 US claimed
EP-1755381-A2 ANTIMICROBIAL SILICON OXIDE FLAKES CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-02-28 EP claimed
EP-1549730-A1 DISINFECTANT CLEANING COMPOSITIONS Reckitt Benckiser Inc. (US) 2005-07-06 EP claimed
EP-1549731-A1 CLEANING AND DISINFECTING COMPOSITION Reckitt Benckiser Inc. (US) 2005-07-06 EP claimed
EP-1537201-A1 HARD SURFACE TREATING COMPOSITIONS Reckitt Benckiser Inc. (US) 2005-06-08 EP claimed
US-20050042266-A1 Cyanoacrylate compositions containing anti-microbial agent CLOSURE MEDICAL CORPORATION (US) 2005-02-24 US claimed
EP-1508601-A1 Cyanoacrylate compositions containing anti-microbial agent Closure Medical Corporation (US) 2005-02-23 EP claimed
EP-0805672-B1 METHODS, COMPOSITIONS, AND DENTAL DELIVERY SYSTEMS FOR THE PROTECTION OF THE SURFACES OF TEETH HOMOLA ANDREW M (US) 2004-08-25 EP claimed
WO-2004035724-A1 CLEANING AND DISINFECTING COMPOSITION RECKITT BENCKISER INC (US) 2004-04-29 WO claimed
WO-2004035723-A1 DISINFECTANT CLEANING COMPOSITIONS RECKITT BENCKISER INC (US) 2004-04-29 WO claimed
WO-2004024861-A1 HARD SURFACE TREATING COMPOSITIONS RECKITT BENCKISER INC (US) 2004-03-25 WO claimed
US-5665333-A Methods, compositions, and dental delivery systems for the protection of the surfaces of teeth PROVSEAL LLC 1997-09-09 US claimed

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-20100040565-A1 ACTIVE DELIVERY SYSTEMS FORMULATIONS LIPA, MMP7, CTSA ALOX5 716/4885ALDH1A1 1412/4885SMN1; SMN2 452/4885
US-20050042266-A1 Cyanoacrylate compositions containing anti-microbial agent CLSPN, PCNA, CDC73 ALOX5 1369/4885ALDH1A1 1718/4885SMN1; SMN2 4855/4885
US-20070231295-A1 Antimicrobial Silicon Oxide Flakes SIK2, SIK3, SIK1 ALOX5 853/4885ALDH1A1 4610/4885SMN1; SMN2 1924/4885
US-20090214606-A1 ANTIMICROBIAL POROUS SILICON OXIDE PARTICLES ORAI3, PRF1, THPO ALOX5 783/4885ALDH1A1 4731/4885SMN1; SMN2 2922/4885

“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.