SCHEMBL573232

SCHEMBL573232

CCCCCc1cc(Br)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.51
TSHR P16473 2/20 0.51
TP53 P04637 2/20 0.51
MAPT P10636 2/20 0.51
ALOX15 P16050 2/20 0.51
CYP3A4 P08684 2/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 1/20 0.51
ALOX5 P09917 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
GFER P55789 1/20 0.44
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL8401876 0.98 TYR (0.54) TYRTSHRTP53MAPTALOX15
SCHEMBL574556 0.98 TYR (0.54) TYRTSHRTP53MAPTALOX15
SCHEMBL573894 0.94 TYR (0.52) TYRTSHRTP53MAPTALOX15
SCHEMBL574298 0.86 ALOX5 (0.50) TSHRALOX15CYP3A4HTTMEN1
SCHEMBL27489482 0.85 ALOX5 (0.50) TYRTSHRTP53MAPTALOX15
SCHEMBL1258397 0.81 ALOX5 (0.70) TYRTSHRTP53MAPTALOX15
SCHEMBL27878175 0.81 TYR (0.50) TYRTSHRTP53MAPTALOX15
SCHEMBL27827947 0.81 TYR (0.50) TYRTSHRTP53MAPTALOX15
SCHEMBL2122564 0.81 TSHR (0.46) TSHRALOX15CYP3A4HTTKMT2A
SCHEMBL8756977 0.81 TYR (0.55) TYRTSHRTP53MAPTALOX15

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 495 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
US-20060040847-A1 Hard surface treating compositions RECKITT BENCKISER INC. 2006-02-23 US claimed
US-20060034880-A1 Cleaning and disinfecting composition RECKITT BENCKISER INC (US) 2006-02-16 US claimed
WO-2005107456-A2 ANTIMICROBIAL SILICON OXIDE FLAKES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-11-17 WO claimed
US-20050233930-A1 Disinfectant cleaning compositions RECKITT BENCKISER INC. (US) 2005-10-20 US 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-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 (5 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 TYR 3186/4885TSHR 2621/4885TP53 1732/4885
US-20060034880-A1 Cleaning and disinfecting composition APOBEC3G, APOBEC3C, APOBEC3B TYR 1439/4885TSHR 3974/4885TP53 1768/4885
US-20050042266-A1 Cyanoacrylate compositions containing anti-microbial agent CLSPN, PCNA, CDC73 TYR 110/4885TSHR 4429/4885TP53 439/4885
US-20070231295-A1 Antimicrobial Silicon Oxide Flakes SIK2, SIK3, SIK1 TYR 1759/4885TSHR 4621/4885TP53 1635/4885
US-20090214606-A1 ANTIMICROBIAL POROUS SILICON OXIDE PARTICLES ORAI3, PRF1, THPO TYR 1621/4885TSHR 4256/4885TP53 1283/4885

“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.