SCHEMBL45872

SCHEMBL45872

CCc1cc(Cl)cc(CC)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.50
GABRB2 P47870 1/20 0.50
CYP2C9 P11712 4/20 0.48
HIF1A Q16665 2/20 0.48
CYP2C19 P33261 2/20 0.48
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
CYP3A4 P08684 4/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
CYP1A2 P05177 4/20 0.42
ERN1 O75460 2/20 0.41
GABRB1 P18505 1/20 0.41
HSP90AA1 P07900 2/20 0.39
MEN1 O00255 1/20 0.39
SLC22A1 O15245 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL19419899 0.93 CYP2C9 (0.59) GABRA1GABRB2CYP2C9HIF1ACYP2C19
SCHEMBL13888086 0.88 HSD17B10 (0.56) CYP2C9HIF1ACYP2C19HSD17B10ALDH1A1
SCHEMBL14613260 0.88 HIF1A (0.44) GABRA1GABRB2CYP2C9HIF1ACYP2C19
SCHEMBL13888157 0.86 CYP2C9 (0.43) GABRA1GABRB2CYP2C9HIF1ACYP2C19
SCHEMBL19419892 0.85 CYP2C9 (0.52) GABRA1GABRB2CYP2C9HIF1ACYP2C19
SCHEMBL814134 0.84 TTR (0.41) GABRA1GABRB2CYP2C9HIF1ACYP2C19
SCHEMBL13888155 0.84 ERN1 (0.50) GABRA1GABRB2CYP2C9HIF1ACYP2C19
SCHEMBL17744510 0.84 ALDH1A1 (0.40) GABRA1GABRB2CYP2C9HIF1ACYP2C19
SCHEMBL13888755 0.84 ALDH1A1 (0.40) GABRA1GABRB2CYP2C9HIF1ACYP2C19
SCHEMBL21547602 0.84 CYP2C9 (0.38) GABRA1GABRB2CYP2C9HIF1ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101497692-B Use of magnetic supported catalyst in polyphenylene oxide preparation UNIV ZHEJIANG 2011-03-16 CN claimed
CN-101942087-A Metal ion-hyperbranched polyamide amine complex catalyst and application to preparing polyphenylene oxide (PPO) in water medium UNIV ZHEJIANG 2011-01-12 CN claimed
CN-101544755-B Metallic ion-polyvinyl imidazol complex catalyst and preparation method and application thereof UNIV ZHEJIANG 2010-12-08 CN claimed
CN-101544755-A Metallic ion-polyvinyl imidazol complex catalyst and preparation method and application thereof UNIV ZHEJIANG 2009-09-30 CN claimed
CN-101497692-A Magnetic supported catalyst and use thereof in polyphenylene oxide preparation UNIV ZHEJIANG (CN) 2009-08-05 CN claimed
CN-101497693-A Metallic ion-polyamide polyamide-amine complex compound catalyst and use for preparing polyphenylene oxide in aqueous medium UNIV ZHEJIANG (CN) 2009-08-05 CN claimed
US-8268381-B2 Methods and systems for coating a medical device ALLACCEM, INC. (US) 2012-09-18 US disclosed
US-8222239-B2 quaternary ammonium compounds, conjugated to polymers, used as microbiocides ALLACCEM, INC. (US) 2012-07-17 US disclosed
US-8188068-B2 Bridged polycyclic compound based compositions for coating oral surfaces in pets ALLACCEM, INC. (US) 2012-05-29 US disclosed
US-8153617-B2 Bridged polycyclic compound based compositions for coating oral surfaces in humans ALLACCEM, INC. (US) 2012-04-10 US disclosed
US-8067403-B2 Methods and systems for preparing an antimicrobial composition ALLACCEM, INC. (US) 2011-11-29 US disclosed
CN-102060990-A Magnetic supported catalyst and application thereof in preparing polyphenyleneoxide in aqueous medium UNIV ZHEJIANG 2011-05-18 CN disclosed
CN-101497692-B Use of magnetic supported catalyst in polyphenylene oxide preparation UNIV ZHEJIANG 2011-03-16 CN disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
CN-1328315-C Method for preparing polyphenyl ether/styrene alloy UNIV ZHEJIANG (CN) 2007-07-25 CN disclosed
CN-1314758-C Polymrization method of preparing polyphonyl ether/phenylethylene kind polymer alloy in reactor UNIV ZHEJIANG (CN) 2007-05-09 CN disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
CN-1737048-A Method for preparing polyphenyl ether/styrene alloy UNIV ZHEJIANG (CN) 2006-02-22 CN disclosed
CN-1718634-A Polymrization method of preparing polyphonyl ether/phenylethylene kind polymer alloy in reactor UNIV ZHEJIANG (CN) 2006-01-11 CN 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 (3 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-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 GABRA1 1294/4885GABRB2 435/4885CYP2C9 4440/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 GABRA1 1294/4885GABRB2 435/4885CYP2C9 4440/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 GABRA1 1294/4885GABRB2 435/4885CYP2C9 4440/4885

“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.