SCHEMBL574124

SCHEMBL574124

CCC(C)(C)c1ccc(O)c(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.58
ALOX12 P18054 2/20 0.58
ESR1 P03372 9/20 0.46
ESR2 Q92731 5/20 0.46
AR P10275 3/20 0.46
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 2/20 0.41

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
SCHEMBL11162634 0.85 MAPK1 (0.42) ALOX15ALOX12ESR1ESR2AR
SCHEMBL7943487 0.85 ALOX15 (0.58) ALOX15ALOX12ESR1ESR2AR
SCHEMBL21777444 0.83 ALOX15 (0.56) ALOX15ALOX12ESR1ESR2AR
Propane SCHEMBL4424428 0.82 ALOX15 (0.76) ALOX15ALOX12ESR1ESR2AR
SCHEMBL56223 0.82 ALDH1A1 (0.61) ALOX15ESR1ESR2ARNPC1
SCHEMBL29492899 0.80 ESR1 (0.70) ESR1ESR2ARTDP1
SCHEMBL2614950 0.80 ESR1 (0.70) ESR1ESR2ARTDP1
SCHEMBL376840 0.79 ALOX15 (0.66) ALOX15ALOX12ESR1LMNASMN1; SMN2
SCHEMBL29378598 0.79 ALOX15 (0.85) ALOX15ALOX12ESR1ESR2AR
SCHEMBL121262 0.79 ALOX15 (0.85) ALOX15ALOX12ESR1ESR2AR

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 591 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 ALOX15 903/4885ALOX12 605/4885ESR1 1163/4885
US-20050042266-A1 Cyanoacrylate compositions containing anti-microbial agent CLSPN, PCNA, CDC73 ALOX15 876/4885ALOX12 1136/4885ESR1 1363/4885
US-20070231295-A1 Antimicrobial Silicon Oxide Flakes SIK2, SIK3, SIK1 ALOX15 527/4885ALOX12 625/4885ESR1 2209/4885
US-20090214606-A1 ANTIMICROBIAL POROUS SILICON OXIDE PARTICLES ORAI3, PRF1, THPO ALOX15 544/4885ALOX12 890/4885ESR1 1281/4885

“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.