SCHEMBL574123

SCHEMBL574123

CCC(C)(C)c1cccc(O)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 2/20 0.42
CA2 P00918 3/20 0.39
GABRA1 P14867 3/20 0.34
GABRB2 P47870 3/20 0.34
TRPA1 O75762 2/20 0.34
ATM Q13315 1/20 0.34
CA1 P00915 2/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HSPA5 P11021 1/20 0.31
ADAMTS4 O75173 1/20 0.31
EGFR P00533 1/20 0.31
LMNA P02545 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
SCHEMBL6429980 0.83 BID (0.47) TDP1TSHRMMP2ALOX15HSD17B10
SCHEMBL4055202 0.80 ALDH1A1 (0.45) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL4493446 0.80 CA2 (0.46) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL77491 0.79 ALDH1A1 (0.60) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL29350632 0.79 ALDH1A1 (0.60) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL2497840 0.79 ALDH1A1 (0.60) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL29715808 0.78 TRPA1 (0.50) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL31438668 0.78 ALDH1A1 (0.43) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL10224690 0.78 ALDH1A1 (0.43) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL1159985 0.78 ALDH1A1 (0.43) ALDH1A1TDP1TSHRCA2GABRA1

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 567 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
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
WO-2006120135-A1 ANTIMICROBIAL POROUS SILICON OXIDE PARTICLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-11-16 WO 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 ALDH1A1 1412/4885TDP1 2046/4885TSHR 2621/4885
US-20050042266-A1 Cyanoacrylate compositions containing anti-microbial agent CLSPN, PCNA, CDC73 ALDH1A1 1718/4885TDP1 1182/4885TSHR 4429/4885
US-20070231295-A1 Antimicrobial Silicon Oxide Flakes SIK2, SIK3, SIK1 ALDH1A1 4610/4885TDP1 4783/4885TSHR 4621/4885
US-20090214606-A1 ANTIMICROBIAL POROUS SILICON OXIDE PARTICLES ORAI3, PRF1, THPO ALDH1A1 4731/4885TDP1 4309/4885TSHR 4256/4885

“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.