SCHEMBL45861

SCHEMBL45861

CCc1ccc(CC)c(O)c1O

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.68
GABRB2 P47870 2/20 0.68
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
PRKCI P41743 1/20 0.40
FEN1 P39748 1/20 0.39
CTRC Q99895 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
BACE1 P56817 1/20 0.37
HSPA5 P11021 1/20 0.37
TRPA1 O75762 1/20 0.36
TYR P14679 1/20 0.35

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
SCHEMBL29719025 0.89 GABRA1 (0.56) GABRA1GABRB2ESR1ESR2PRKCI
SCHEMBL2475390 0.89 GABRA1 (0.56) GABRA1GABRB2ESR1ESR2PRKCI
SCHEMBL5676415 0.87 GABRA1 (0.54) GABRA1GABRB2ESR1ESR2PRKCI
SCHEMBL5196215 0.87 PRKCI (0.57) GABRA1GABRB2ESR1ESR2PRKCI
SCHEMBL16527810 0.85 GABRA1 (0.59) GABRA1GABRB2ESR1ESR2PRKCI
SCHEMBL24451093 0.84 GABRA1 (0.52) GABRA1GABRB2ESR1ESR2PRKCI
SCHEMBL17916374 0.84 GABRA1 (0.52) GABRA1GABRB2ESR1ESR2PRKCI
SCHEMBL4961265 0.83 GABRA1 (0.56) GABRA1GABRB2ESR1ESR2PRKCI
SCHEMBL8678918 0.83 GABRA1 (0.50) GABRA1GABRB2ESR1ESR2PRKCI
SCHEMBL1174451 0.83 CA2 (0.50) GABRA1GABRB2ALOX15ALOX12HSPA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212286-B2 Methods and systems for coating a surface ALLACCEM, INC. (US) 2015-12-15 US disclosed
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-8153618-B2 Bridged polycyclic compound based compositions for topical applications for pets 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
US-8067402-B2 Methods and systems for coating an oral surface ALLACCEM, INC. (US) 2011-11-29 US disclosed
US-7939819-B2 Circuit board, electro-optical device, and electric apparatus SEIKO EPSON CORPORATION (JP) 2011-05-10 US disclosed
US-7825403-B2 Circuit board including a substrate with a recessed portion and manufacturing method thereof, electro-optical device and electronic apparatus SEIKO EPSON CORPORATION (JP) 2010-11-02 US disclosed
US-20080020127-A1 Methods and systems for coating a medical device ALLACCEM, INC. 2008-01-24 US disclosed
US-20080021212-A1 Methods and systems for preparing an antimicrobial composition ALLACCEM, INC. 2008-01-24 US disclosed
US-20070221958-A1 CIRCUIT BOARD AND MANUFACTURING METHOD THEREOF, ELECTRO-OPTICAL DEVICE, AND ELECTRONIC APPARATUS SEIKO EPSON CORPORATION (JP) 2007-09-27 US disclosed
US-20070215377-A1 CIRCUIT BOARD, ELECTRO-OPTICAL DEVICE, AND ELECTRIC APPARATUS SEIKO EPSON CORPORATION (JP) 2007-09-20 US disclosed
US-20070202342-A1 Applying to an oral surface (teeth or gums)one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning; dentistry; bonding agents, resin cements, sealants ALLACCEM, INC. 2007-08-30 US disclosed
US-7067450-B2 Soluble late transition metal catalysts for olefin oligomerizations III EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-27 US disclosed
US-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III ZHAO BAIYI 2006-02-16 US disclosed
EP-1620447-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III Exxonmobil Chemical Patents Inc. (US) 2006-02-01 EP disclosed
US-20040044150-A1 Soluble late transition metal catalysts for olefin oligomerizations III EXXONMOBIL CHEMICAL PATENTS INC. 2004-03-04 US disclosed
WO-2003102006-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-12-11 WO 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 (2 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-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III COMT, CD69, SPR GABRA1 3633/4885GABRB2 3569/4885ESR1 26/4885
US-20080021212-A1 Methods and systems for preparing an antimicrobial composition DNMT1, TET2, POLR1C GABRA1 3855/4885GABRB2 4175/4885ESR1 754/4885

“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.